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1258625-58-9 | [1,1'-Biphenyl]-3-carboxylic acid, 3'-formyl-2'-hydroxy-, methyl ester
CAS No: 1258625-58-9 Catalog No: AG000OUZ MDL No:MFCD18086595
Product Description
Catalog Number:
AG000OUZ
Chemical Name:
[1,1'-Biphenyl]-3-carboxylic acid, 3'-formyl-2'-hydroxy-, methyl ester
CAS Number:
1258625-58-9
Molecular Formula:
C15H12O4
Molecular Weight:
256.2534
MDL Number:
MFCD18086595
IUPAC Name:
methyl 3-(3-formyl-2-hydroxyphenyl)benzoate
InChI:
InChI=1S/C15H12O4/c1-19-15(18)11-5-2-4-10(8-11)13-7-3-6-12(9-16)14(13)17/h2-9,17H,1H3
InChI Key:
POOXZWWZMZZHJE-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc(c1)c1cccc(c1O)C=O
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.074g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
256.257g/mol
Monoisotopic Mass:
256.074g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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