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1261915-37-0 | [1,1'-Biphenyl]-4-carboxylic acid, 4'-[(dimethylamino)carbonyl]-2-methyl-
CAS No: 1261915-37-0 Catalog No: AG000S63 MDL No:MFCD18321967
Product Description
Catalog Number:
AG000S63
Chemical Name:
[1,1'-Biphenyl]-4-carboxylic acid, 4'-[(dimethylamino)carbonyl]-2-methyl-
CAS Number:
1261915-37-0
Molecular Formula:
C17H17NO3
Molecular Weight:
283.3218
MDL Number:
MFCD18321967
IUPAC Name:
4-[4-(dimethylcarbamoyl)phenyl]-3-methylbenzoic acid
InChI:
InChI=1S/C17H17NO3/c1-11-10-14(17(20)21)8-9-15(11)12-4-6-13(7-5-12)16(19)18(2)3/h4-10H,1-3H3,(H,20,21)
InChI Key:
GJTTYHWVMOJCBK-UHFFFAOYSA-N
SMILES:
CN(C(=O)c1ccc(cc1)c1ccc(cc1C)C(=O)O)C
Properties
Complexity:
386
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.121g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
283.327g/mol
Monoisotopic Mass:
283.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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