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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

CAS 79950-42-8
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 Weight 162.18 g/mol
Molecular Formula C10H10O2
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass162.068079557 g/mol
Monoisotopic Mass162.068079557 g/mol
Topological Polar Surface Area37.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity165
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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