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100401-14-7 | 2-Pyrrolidinepropanoic acid, 1-acetyl-, ethyl ester
CAS No: 100401-14-7 Catalog No: AG0001XG MDL No:
Product Description
Catalog Number:
AG0001XG
Chemical Name:
2-Pyrrolidinepropanoic acid, 1-acetyl-, ethyl ester
CAS Number:
100401-14-7
Molecular Formula:
C11H19NO3
Molecular Weight:
213.2735
IUPAC Name:
ethyl 3-(1-acetylpyrrolidin-2-yl)propanoate
InChI:
InChI=1S/C11H19NO3/c1-3-15-11(14)7-6-10-5-4-8-12(10)9(2)13/h10H,3-8H2,1-2H3
InChI Key:
WBSCWDRZWXIOMB-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCC1CCCN1C(=O)C
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.136g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.277g/mol
Monoisotopic Mass:
213.136g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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