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1260759-88-3 | Cyclohexanecarboxylic acid, 4-cyano-4-[[(phenylmethoxy)carbonyl]amino]-, ethyl ester
CAS No: 1260759-88-3 Catalog No: AG000R4E MDL No:
Product Description
Catalog Number:
AG000R4E
Chemical Name:
Cyclohexanecarboxylic acid, 4-cyano-4-[[(phenylmethoxy)carbonyl]amino]-, ethyl ester
CAS Number:
1260759-88-3
Molecular Formula:
C18H22N2O4
Molecular Weight:
330.3783
IUPAC Name:
ethyl 4-cyano-4-(phenylmethoxycarbonylamino)cyclohexane-1-carboxylate
InChI:
InChI=1S/C18H22N2O4/c1-2-23-16(21)15-8-10-18(13-19,11-9-15)20-17(22)24-12-14-6-4-3-5-7-14/h3-7,15H,2,8-12H2,1H3,(H,20,22)
InChI Key:
PZSRAJWHKBTAML-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CCC(CC1)(C#N)NC(=O)OCc1ccccc1
Properties
Complexity:
483
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.158g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
330.384g/mol
Monoisotopic Mass:
330.158g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
88.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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