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168619-25-8 | [1,1'-Biphenyl]-3-carboxylic acid, 3'-amino-, methyl ester
CAS No: 168619-25-8 Catalog No: AG001Y6N MDL No:MFCD07366482
Product Description
Catalog Number:
AG001Y6N
Chemical Name:
[1,1'-Biphenyl]-3-carboxylic acid, 3'-amino-, methyl ester
CAS Number:
168619-25-8
Molecular Formula:
C14H13NO2
Molecular Weight:
227.2585
MDL Number:
MFCD07366482
IUPAC Name:
methyl 3-(3-aminophenyl)benzoate
InChI:
InChI=1S/C14H13NO2/c1-17-14(16)12-6-2-4-10(8-12)11-5-3-7-13(15)9-11/h2-9H,15H2,1H3
InChI Key:
OZGKLPFPUYBIGL-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc(c1)c1cccc(c1)N
EC Number:
605-522-8
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.095g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.263g/mol
Monoisotopic Mass:
227.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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