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Also known as: 94956-98-6, Benzaldehyde, 3-methoxy-2-(2-propenyl)-, 3-methoxy-2-prop-2-enylbenzaldehyde, Schembl4984877, Dtxsid80457194, Amy27753
Molecular Formula
C11H12O2
Molecular Weight
176.21  g/mol
InChI Key
OQOUDZFBMYRNCD-UHFFFAOYSA-N

CAS 94956-98-6
1 2D Structure

CAS 94956-98-6

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3-methoxy-2-prop-2-enylbenzaldehyde
2.1.2 InChI
InChI=1S/C11H12O2/c1-3-5-10-9(8-12)6-4-7-11(10)13-2/h3-4,6-8H,1,5H2,2H3
2.1.3 InChI Key
OQOUDZFBMYRNCD-UHFFFAOYSA-N
2.1.4 Canonical SMILES
COC1=CC=CC(=C1CC=C)C=O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 94956-98-6

2. Benzaldehyde, 3-methoxy-2-(2-propenyl)-

3. 3-methoxy-2-prop-2-enylbenzaldehyde

4. Schembl4984877

5. Dtxsid80457194

6. Amy27753

7. Zinc38312375

8. Ac-30206

9. Db-089745

2.3 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 176.21 g/mol
Molecular Formula C11H12O2
XLogP32.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass176.083729621 g/mol
Monoisotopic Mass176.083729621 g/mol
Topological Polar Surface Area26.3 Ų
Heavy Atom Count13
Formal Charge0
Complexity177
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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