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89046-85-5 | 1-Aziridinecarboxylic acid, 2-(aminocarbonyl)-
CAS No: 89046-85-5 Catalog No: AG004325 MDL No:
Product Description
Catalog Number:
AG004325
Chemical Name:
1-Aziridinecarboxylic acid, 2-(aminocarbonyl)-
CAS Number:
89046-85-5
Molecular Formula:
C4H6N2O3
Molecular Weight:
130.1020
IUPAC Name:
2-carbamoylaziridine-1-carboxylic acid
InChI:
InChI=1S/C4H6N2O3/c5-3(7)2-1-6(2)4(8)9/h2H,1H2,(H2,5,7)(H,8,9)
InChI Key:
SALMBGFIRZEDDJ-UHFFFAOYSA-N
SMILES:
OC(=O)N1CC1C(=O)N
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
130.038g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
130.103g/mol
Monoisotopic Mass:
130.038g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.4
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