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157643-41-9 | 2-Aziridinepropanoic acid, 2-carboxy-
CAS No: 157643-41-9 Catalog No: AG001PL0 MDL No:
Product Description
Catalog Number:
AG001PL0
Chemical Name:
2-Aziridinepropanoic acid, 2-carboxy-
CAS Number:
157643-41-9
Molecular Formula:
C6H9NO4
Molecular Weight:
159.1400
IUPAC Name:
2-(2-carboxyethyl)aziridine-2-carboxylic acid
InChI:
InChI=1S/C6H9NO4/c8-4(9)1-2-6(3-7-6)5(10)11/h7H,1-3H2,(H,8,9)(H,10,11)
InChI Key:
FWZAXTATSWXGNX-UHFFFAOYSA-N
SMILES:
OC(=O)CCC1(NC1)C(=O)O
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.053g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
159.141g/mol
Monoisotopic Mass:
159.053g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
96.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.4
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