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833461-30-6 | Cyclopentanecarboxylic acid, 1-acetyl-3-(phenylamino)-, ethyl ester
CAS No: 833461-30-6 Catalog No: AG0055MC MDL No:
Product Description
Catalog Number:
AG0055MC
Chemical Name:
Cyclopentanecarboxylic acid, 1-acetyl-3-(phenylamino)-, ethyl ester
CAS Number:
833461-30-6
Molecular Formula:
C16H21NO3
Molecular Weight:
275.3428
IUPAC Name:
ethyl 1-acetyl-3-anilinocyclopentane-1-carboxylate
InChI:
InChI=1S/C16H21NO3/c1-3-20-15(19)16(12(2)18)10-9-14(11-16)17-13-7-5-4-6-8-13/h4-8,14,17H,3,9-11H2,1-2H3
InChI Key:
LXPWBGWNFBLMLI-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1(CCC(C1)Nc1ccccc1)C(=O)C
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.152g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
275.348g/mol
Monoisotopic Mass:
275.152g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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