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94956-98-6 | Benzaldehyde, 3-methoxy-2-(2-propenyl)-
CAS No: 94956-98-6 Catalog No: AG006QRZ MDL No:
Product Description
Catalog Number:
AG006QRZ
Chemical Name:
Benzaldehyde, 3-methoxy-2-(2-propenyl)-
CAS Number:
94956-98-6
Molecular Formula:
C11H12O2
Molecular Weight:
176.2118
IUPAC Name:
3-methoxy-2-prop-2-enylbenzaldehyde
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
InChI Key:
OQOUDZFBMYRNCD-UHFFFAOYSA-N
SMILES:
C=CCc1c(OC)cccc1C=O
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.084g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.215g/mol
Monoisotopic Mass:
176.084g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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