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197236-38-7 | cyclopentanecarboxylic acid, 1,2,2-trimethyl-3-[[(4-methylphenyl)amino]carbonyl]-
CAS No: 197236-38-7 Catalog No: AG002AO9 MDL No:
Product Description
Catalog Number:
AG002AO9
Chemical Name:
cyclopentanecarboxylic acid, 1,2,2-trimethyl-3-[[(4-methylphenyl)amino]carbonyl]-
CAS Number:
197236-38-7
Molecular Formula:
C17H23NO3
Molecular Weight:
289.3694
IUPAC Name:
1,2,2-trimethyl-3-[(4-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
InChI:
InChI=1S/C17H23NO3/c1-11-5-7-12(8-6-11)18-14(19)13-9-10-17(4,15(20)21)16(13,2)3/h5-8,13H,9-10H2,1-4H3,(H,18,19)(H,20,21)
InChI Key:
RIPUIEQHIHOULS-UHFFFAOYSA-N
SMILES:
O=C(C1CCC(C1(C)C)(C)C(=O)O)Nc1ccc(cc1)C
Properties
Complexity:
424
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.168g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
289.375g/mol
Monoisotopic Mass:
289.168g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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