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1685-80-9 | 2-Propenoic acid, 3-(2,4-dimethylphenyl)-
CAS No: 1685-80-9 Catalog No: AG001Y47 MDL No:MFCD00017287
Product Description
Catalog Number:
AG001Y47
Chemical Name:
2-Propenoic acid, 3-(2,4-dimethylphenyl)-
CAS Number:
1685-80-9
Molecular Formula:
C11H12O2
Molecular Weight:
176.2118
MDL Number:
MFCD00017287
IUPAC Name:
(E)-3-(2,4-dimethylphenyl)prop-2-enoic acid
InChI:
InChI=1S/C11H12O2/c1-8-3-4-10(9(2)7-8)5-6-11(12)13/h3-7H,1-2H3,(H,12,13)/b6-5+
InChI Key:
UFSZMHHSCOXWPC-AATRIKPKSA-N
SMILES:
OC(=O)C=Cc1ccc(cc1C)C
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
176.084g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
176.215g/mol
Monoisotopic Mass:
176.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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