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28873-89-4 | 2-Propenoic acid, 3-(2-formylphenyl)-
CAS No: 28873-89-4 Catalog No: AG002WWU MDL No:
Product Description
Catalog Number:
AG002WWU
Chemical Name:
2-Propenoic acid, 3-(2-formylphenyl)-
CAS Number:
28873-89-4
Molecular Formula:
C10H8O3
Molecular Weight:
176.1687
IUPAC Name:
3-(2-formylphenyl)prop-2-enoic acid
InChI:
InChI=1S/C10H8O3/c11-7-9-4-2-1-3-8(9)5-6-10(12)13/h1-7H,(H,12,13)
InChI Key:
ZIUMNQBNEUJSSL-UHFFFAOYSA-N
SMILES:
O=Cc1ccccc1C=CC(=O)O
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.047g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
176.171g/mol
Monoisotopic Mass:
176.047g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.3
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