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116274-88-5 | Cyclohexanecarboxylic acid, 2-(1-pyrrolidinyl)-, methyl ester, cis- (9CI)
CAS No: 116274-88-5 Catalog No: AG000C36 MDL No:
Product Description
Catalog Number:
AG000C36
Chemical Name:
Cyclohexanecarboxylic acid, 2-(1-pyrrolidinyl)-, methyl ester, cis- (9CI)
CAS Number:
116274-88-5
Molecular Formula:
C12H21NO2
Molecular Weight:
211.3006
IUPAC Name:
methyl 2-pyrrolidin-1-ylcyclohexane-1-carboxylate
InChI:
InChI=1S/C12H21NO2/c1-15-12(14)10-6-2-3-7-11(10)13-8-4-5-9-13/h10-11H,2-9H2,1H3
InChI Key:
AERORHXQCZHFDA-UHFFFAOYSA-N
SMILES:
COC(=O)[C@@H]1CCCC[C@@H]1N1CCCC1
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.157g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.305g/mol
Monoisotopic Mass:
211.157g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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