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149221-23-8 | 3-Cyclohexene-1-carboxylic acid, 6-methyl-4-[(4-methylphenyl)amino]-2-oxo-, ethyl ester
CAS No: 149221-23-8 Catalog No: AG001LHB MDL No:
Product Description
Catalog Number:
AG001LHB
Chemical Name:
3-Cyclohexene-1-carboxylic acid, 6-methyl-4-[(4-methylphenyl)amino]-2-oxo-, ethyl ester
CAS Number:
149221-23-8
Molecular Formula:
C17H21NO3
Molecular Weight:
287.3535
IUPAC Name:
ethyl 6-methyl-4-(4-methylanilino)-2-oxocyclohex-3-ene-1-carboxylate
InChI:
InChI=1S/C17H21NO3/c1-4-21-17(20)16-12(3)9-14(10-15(16)19)18-13-7-5-11(2)6-8-13/h5-8,10,12,16,18H,4,9H2,1-3H3
InChI Key:
OIMCHAPNVXTGQK-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1C(C)CC(=CC1=O)Nc1ccc(cc1)C
Properties
Complexity:
422
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.152g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
287.359g/mol
Monoisotopic Mass:
287.152g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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