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889955-78-6 | [1,1'-Biphenyl]-3-carboxylicacid, 3'-(hydroxymethyl)-, methyl ester
CAS No: 889955-78-6 Catalog No: AG00455Z MDL No:
Product Description
Catalog Number:
AG00455Z
Chemical Name:
[1,1'-Biphenyl]-3-carboxylicacid, 3'-(hydroxymethyl)-, methyl ester
CAS Number:
889955-78-6
Molecular Formula:
C15H14O3
Molecular Weight:
242.2699
IUPAC Name:
methyl 3-[3-(hydroxymethyl)phenyl]benzoate
InChI:
InChI=1S/C15H14O3/c1-18-15(17)14-7-3-6-13(9-14)12-5-2-4-11(8-12)10-16/h2-9,16H,10H2,1H3
InChI Key:
LMMIVXXNHMOWKJ-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc(c1)c1cccc(c1)CO
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.094g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.274g/mol
Monoisotopic Mass:
242.094g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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