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197450-40-1 | [1,1'-Biphenyl]-4-carboxylic acid, 2'-methyl-4'-(2-oxo-1-pyrrolidinyl)-
CAS No: 197450-40-1 Catalog No: AG002ATM MDL No:
Product Description
Catalog Number:
AG002ATM
Chemical Name:
[1,1'-Biphenyl]-4-carboxylic acid, 2'-methyl-4'-(2-oxo-1-pyrrolidinyl)-
CAS Number:
197450-40-1
Molecular Formula:
C18H17NO3
Molecular Weight:
295.3325
IUPAC Name:
4-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzoic acid
InChI:
InChI=1S/C18H17NO3/c1-12-11-15(19-10-2-3-17(19)20)8-9-16(12)13-4-6-14(7-5-13)18(21)22/h4-9,11H,2-3,10H2,1H3,(H,21,22)
InChI Key:
UCYCSNQPYZDKBS-UHFFFAOYSA-N
SMILES:
O=C1CCCN1c1ccc(c(c1)C)c1ccc(cc1)C(=O)O
Properties
Complexity:
428
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.121g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
295.338g/mol
Monoisotopic Mass:
295.121g/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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