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167156-71-0 | 2-Aziridinecarboxylic acid, butyl ester
CAS No: 167156-71-0 Catalog No: AG001X5O MDL No:
Product Description
Catalog Number:
AG001X5O
Chemical Name:
2-Aziridinecarboxylic acid, butyl ester
CAS Number:
167156-71-0
Molecular Formula:
C7H13NO2
Molecular Weight:
143.1836
IUPAC Name:
butyl aziridine-2-carboxylate
InChI:
InChI=1S/C7H13NO2/c1-2-3-4-10-7(9)6-5-8-6/h6,8H,2-5H2,1H3
InChI Key:
QGXIHVXXWZALES-UHFFFAOYSA-N
SMILES:
CCCCOC(=O)C1CN1
Properties
Complexity:
125
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
5
Topological Polar Surface Area:
48.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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