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1260603-20-0 | 3-Pyrrolidinecarboxylic acid, 4-methyl-, methyl ester, (3R,4R)-
CAS No: 1260603-20-0 Catalog No: AG000QVC MDL No:
Product Description
Catalog Number:
AG000QVC
Chemical Name:
3-Pyrrolidinecarboxylic acid, 4-methyl-, methyl ester, (3R,4R)-
CAS Number:
1260603-20-0
Molecular Formula:
C7H13NO2
Molecular Weight:
143.1836
IUPAC Name:
methyl (3R,4R)-4-methylpyrrolidine-3-carboxylate
InChI:
InChI=1S/C7H13NO2/c1-5-3-8-4-6(5)7(9)10-2/h5-6,8H,3-4H2,1-2H3/t5-,6-/m0/s1
InChI Key:
KXYSKSUNLWRSFW-WDSKDSINSA-N
SMILES:
COC(=O)[C@H]1CNC[C@@H]1C
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
143.095g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
143.186g/mol
Monoisotopic Mass:
143.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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