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1261994-07-3 | [1,1'-Biphenyl]-3-carboxylic acid, 3'-[(ethylamino)carbonyl]-5-methoxy-
CAS No: 1261994-07-3 Catalog No: AG000SBG MDL No:MFCD18322016
Product Description
Catalog Number:
AG000SBG
Chemical Name:
[1,1'-Biphenyl]-3-carboxylic acid, 3'-[(ethylamino)carbonyl]-5-methoxy-
CAS Number:
1261994-07-3
Molecular Formula:
C17H17NO4
Molecular Weight:
299.3212
MDL Number:
MFCD18322016
IUPAC Name:
3-[3-(ethylcarbamoyl)phenyl]-5-methoxybenzoic acid
InChI:
InChI=1S/C17H17NO4/c1-3-18-16(19)12-6-4-5-11(7-12)13-8-14(17(20)21)10-15(9-13)22-2/h4-10H,3H2,1-2H3,(H,18,19)(H,20,21)
InChI Key:
FBHZNRSVFCFKKT-UHFFFAOYSA-N
SMILES:
CCNC(=O)c1cccc(c1)c1cc(OC)cc(c1)C(=O)O
Properties
Complexity:
398
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.116g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
299.326g/mol
Monoisotopic Mass:
299.116g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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