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820232-34-6 | Cyclohexanecarboxylic acid, 4-(2-oxo-1-pyrrolidinyl)-, methyl ester, cis-
CAS No: 820232-34-6 Catalog No: AG0053EJ MDL No:
Product Description
Catalog Number:
AG0053EJ
Chemical Name:
Cyclohexanecarboxylic acid, 4-(2-oxo-1-pyrrolidinyl)-, methyl ester, cis-
CAS Number:
820232-34-6
Molecular Formula:
C12H19NO3
Molecular Weight:
225.2842
IUPAC Name:
methyl 4-(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylate
InChI:
InChI=1S/C12H19NO3/c1-16-12(15)9-4-6-10(7-5-9)13-8-2-3-11(13)14/h9-10H,2-8H2,1H3
InChI Key:
VQVLBGSJLVOYDH-UHFFFAOYSA-N
SMILES:
COC(=O)[C@@H]1CC[C@@H](CC1)N1CCCC1=O
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.136g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.288g/mol
Monoisotopic Mass:
225.136g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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