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78409-59-3 | "3-(3,5-dioxo-1,2,4-triazolidin-4-yl)propanoic acid"
CAS No: 78409-59-3 Catalog No: AG01FN5V MDL No:MFCD28153175
Product Description
Catalog Number:
AG01FN5V
Chemical Name:
"3-(3,5-dioxo-1,2,4-triazolidin-4-yl)propanoic acid"
CAS Number:
78409-59-3
Molecular Formula:
C5H7N3O4
Molecular Weight:
173.1268
MDL Number:
MFCD28153175
IUPAC Name:
3-(3,5-dioxo-1,2,4-triazolidin-4-yl)propanoic acid
InChI:
InChI=1S/C5H7N3O4/c9-3(10)1-2-8-4(11)6-7-5(8)12/h1-2H2,(H,6,11)(H,7,12)(H,9,10)
InChI Key:
BMPNXLCYFGOYKG-UHFFFAOYSA-N
SMILES:
OC(=O)CCn1c(=O)[nH][nH]c1=O
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.044g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
173.128g/mol
Monoisotopic Mass:
173.044g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
98.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.4
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