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918332-94-2 | 2-Propenoic acid, 3-[4'-(hydroxymethyl)[1,1'-biphenyl]-4-yl]-, (2E)-
CAS No: 918332-94-2 Catalog No: AG006GCG MDL No:
Product Description
Catalog Number:
AG006GCG
Chemical Name:
2-Propenoic acid, 3-[4'-(hydroxymethyl)[1,1'-biphenyl]-4-yl]-, (2E)-
CAS Number:
918332-94-2
Molecular Formula:
C16H14O3
Molecular Weight:
254.2806
IUPAC Name:
3-[4-[4-(hydroxymethyl)phenyl]phenyl]prop-2-enoic acid
InChI:
InChI=1S/C16H14O3/c17-11-13-3-8-15(9-4-13)14-6-1-12(2-7-14)5-10-16(18)19/h1-10,17H,11H2,(H,18,19)
InChI Key:
KNULMZIULIRAAU-UHFFFAOYSA-N
SMILES:
OCc1ccc(cc1)c1ccc(cc1)/C=C/C(=O)O
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.094g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
254.285g/mol
Monoisotopic Mass:
254.094g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.6
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