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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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CAS Number

101692-02-8

End Use API

LinkChem is a leading China headquartered CMO | CRO provider within the pharmaceutical industry. Our core...

LinkChem is a leading China headquartered CMO | CRO provider within the pharmaceutical industry. Our core focus includes: custom synthesis, process development, and manufacturing of key intermediates,API,amino acid and peptides. At LinkChem we support the virtually integrated pharma company with unparralled expertise throughout the entire product lifecycle. We collaborate with both Pharmaceutical and Generic companies from drug development to commercialization.

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