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1588441-05-7 | 1H-Pyrrole-1-butanoic acid, 2,5-dihydro-2,5-dioxo-, hydrazide, hydrochloride (1:1)
CAS No: 1588441-05-7 Catalog No: AG001QY0 MDL No:MFCD22372692
Product Description
Catalog Number:
AG001QY0
Chemical Name:
1H-Pyrrole-1-butanoic acid, 2,5-dihydro-2,5-dioxo-, hydrazide, hydrochloride (1:1)
CAS Number:
1588441-05-7
Molecular Formula:
C8H12ClN3O3
Molecular Weight:
233.6522
MDL Number:
MFCD22372692
IUPAC Name:
4-(2,5-dioxopyrrol-1-yl)butanehydrazide;hydrochloride
InChI:
InChI=1S/C8H11N3O3.ClH/c9-10-6(12)2-1-5-11-7(13)3-4-8(11)14;/h3-4H,1-2,5,9H2,(H,10,12);1H
InChI Key:
GFZJTCCUUNLIGG-UHFFFAOYSA-N
SMILES:
NNC(=O)CCCN1C(=O)C=CC1=O.Cl
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.057g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
233.652g/mol
Monoisotopic Mass:
233.057g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
92.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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