CAS 79950-42-8

Chemistry, 1 End Use API, 3 Related Intermediates

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Also known as: 79950-42-8, 3-hydroxy-2-prop-2-enylbenzaldehyde, 3-hydroxy-2-(prop-2-en-1-yl)benzaldehyde, Benzaldehyde, 3-hydroxy-2-(2-propenyl)-, 2-allyl-3hydroxybenzaldehyde, Schembl431551

Molecular Formula

C₁₀H₁₀O₂

Molecular Weight

162.18 g/mol

InChI Key

QVHRAGBOMUXWRI-UHFFFAOYSA-N

1 2D Structure

CAS 79950-42-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-hydroxy-2-prop-2-enylbenzaldehyde

2.1.2 InChI

InChI=1S/C10H10O2/c1-2-4-9-8(7-11)5-3-6-10(9)12/h2-3,5-7,12H,1,4H2

2.1.3 InChI Key

QVHRAGBOMUXWRI-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C=CCC1=C(C=CC=C1O)C=O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 79950-42-8

2. 3-hydroxy-2-prop-2-enylbenzaldehyde

3. 3-hydroxy-2-(prop-2-en-1-yl)benzaldehyde

4. Benzaldehyde, 3-hydroxy-2-(2-propenyl)-

5. 2-allyl-3hydroxybenzaldehyde

6. Schembl431551

7. 2-allyl-3-hydroxy Benzaldehyde

8. 2-allyl-3-hydroxy-benzaldehyde

9. 3-hydroxy-2-allyl Benzaldehyde

10. Dtxsid00379420

11. Zinc157784

12. Amy22038

13. Bcp24264

14. Ex-a1415

15. Mfcd00100646

16. Akos006229614

17. Ps-4188

18. 3-hydroxy-2-prop-2-en-1-ylbenzaldehyde

19. Ac-33242

20. 2-allyl-3-hydroxybenzaldehyde, Aldrichcpr

21. Db-020356

22. Cs-0028564

23. Ft-0641740

24. A839792

25. J-507715

26. 2-allyl-3-hydroxy-benzaldehyde;2-allyl-3-hydroxybenzaldehyde

2.3 Create Date

2005-07-19

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₀O₂
Molecular Weight	162.18 g/mol
XLogP3	2.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	162.068079557 g/mol
Monoisotopic Mass	162.068079557 g/mol
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	165
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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2-allyl-3-hydroxy-benzaldehyde

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CAS Number

79950-42-8

End Use API

Indian Drugs & Chemicals has a wealth of knowledge & expertise that’s incomparable. We utilize this exp...

Indian Drugs & Chemicals has a wealth of knowledge & expertise that’s incomparable. We utilize this experience to provide both companies & individuals with immersible quality products. In addition, we ensure that we stay ahead of the industry curve by using the latest technologies. Rest assured that no matter what you need, you can rely on us to provide the absolute best. Mr. Manish Jatia, the founder has been in the industry for over 40 years who has build companies, products catering to the world market. He has been a foundation for Unique Labs, Hermes Labs & has partnerships with Omshri Labs to cater to the market of Human & Vet. API.

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