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117258-69-2 | Carbamic acid, 3-pyrrolidinyl-, ethyl ester (9CI)
CAS No: 117258-69-2 Catalog No: AG000E0B MDL No:
Product Description
Catalog Number:
AG000E0B
Chemical Name:
Carbamic acid, 3-pyrrolidinyl-, ethyl ester (9CI)
CAS Number:
117258-69-2
Molecular Formula:
C7H14N2O2
Molecular Weight:
158.1983
IUPAC Name:
ethyl N-pyrrolidin-3-ylcarbamate
InChI:
InChI=1S/C7H14N2O2/c1-2-11-7(10)9-6-3-4-8-5-6/h6,8H,2-5H2,1H3,(H,9,10)
InChI Key:
AKYMRXSGUFSNSD-UHFFFAOYSA-N
SMILES:
CCOC(=O)NC1CNCC1
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.106g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
158.201g/mol
Monoisotopic Mass:
158.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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