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2D Structure
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

2D Structure

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