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1261980-21-5 | [1,1'-Biphenyl]-3-carboxylic acid, 5-methoxy-3'-[(methylamino)carbonyl]-
CAS No: 1261980-21-5 Catalog No: AG000SAV MDL No:MFCD18321178
Product Description
Catalog Number:
AG000SAV
Chemical Name:
[1,1'-Biphenyl]-3-carboxylic acid, 5-methoxy-3'-[(methylamino)carbonyl]-
CAS Number:
1261980-21-5
Molecular Formula:
C16H15NO4
Molecular Weight:
285.2946
MDL Number:
MFCD18321178
IUPAC Name:
3-methoxy-5-[3-(methylcarbamoyl)phenyl]benzoic acid
InChI:
InChI=1S/C16H15NO4/c1-17-15(18)11-5-3-4-10(6-11)12-7-13(16(19)20)9-14(8-12)21-2/h3-9H,1-2H3,(H,17,18)(H,19,20)
InChI Key:
YKYXVOUOBQLXNF-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1)C(=O)O)c1cccc(c1)C(=O)NC
Properties
Complexity:
385
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.1g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
285.299g/mol
Monoisotopic Mass:
285.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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