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132629-65-3 | 2-Furancarboxylic acid, 3-(phenylmethyl)-
CAS No: 132629-65-3 Catalog No: AG0010XP MDL No:
Product Description
Catalog Number:
AG0010XP
Chemical Name:
2-Furancarboxylic acid, 3-(phenylmethyl)-
CAS Number:
132629-65-3
Molecular Formula:
C12H10O3
Molecular Weight:
202.2060
IUPAC Name:
3-benzylfuran-2-carboxylic acid
InChI:
InChI=1S/C12H10O3/c13-12(14)11-10(6-7-15-11)8-9-4-2-1-3-5-9/h1-7H,8H2,(H,13,14)
InChI Key:
OQQIYNCDVOQDOC-UHFFFAOYSA-N
SMILES:
OC(=O)c1occc1Cc1ccccc1
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.063g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
202.209g/mol
Monoisotopic Mass:
202.063g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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