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1261907-71-4 | [1,1'-Biphenyl]-3-carboxylic acid, 3'-[(dimethylamino)carbonyl]-5-methoxy-
CAS No: 1261907-71-4 Catalog No: AG000S5C MDL No:MFCD18321954
Product Description
Catalog Number:
AG000S5C
Chemical Name:
[1,1'-Biphenyl]-3-carboxylic acid, 3'-[(dimethylamino)carbonyl]-5-methoxy-
CAS Number:
1261907-71-4
Molecular Formula:
C17H17NO4
Molecular Weight:
299.3212
MDL Number:
MFCD18321954
IUPAC Name:
3-[3-(dimethylcarbamoyl)phenyl]-5-methoxybenzoic acid
InChI:
InChI=1S/C17H17NO4/c1-18(2)16(19)12-6-4-5-11(7-12)13-8-14(17(20)21)10-15(9-13)22-3/h4-10H,1-3H3,(H,20,21)
InChI Key:
OXSSFYRDUCQHEX-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1)C(=O)O)c1cccc(c1)C(=O)N(C)C
Properties
Complexity:
410
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:
1
Isotope Atom Count:
0
Molecular Weight:
299.326g/mol
Monoisotopic Mass:
299.116g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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