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1268521-19-2 | 3-Pyrrolidinecarboxylic acid, 1-methyl-4-oxo-, methyl ester
CAS No: 1268521-19-2 Catalog No: AG000TCA MDL No:
Product Description
Catalog Number:
AG000TCA
Chemical Name:
3-Pyrrolidinecarboxylic acid, 1-methyl-4-oxo-, methyl ester
CAS Number:
1268521-19-2
Molecular Formula:
C7H11NO3
Molecular Weight:
157.1671
IUPAC Name:
methyl 1-methyl-4-oxopyrrolidine-3-carboxylate
InChI:
InChI=1S/C7H11NO3/c1-8-3-5(6(9)4-8)7(10)11-2/h5H,3-4H2,1-2H3
InChI Key:
SDTCGWBSHKBMBB-UHFFFAOYSA-N
SMILES:
COC(=O)C1CN(CC1=O)C
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.074g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
157.169g/mol
Monoisotopic Mass:
157.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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