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181148-01-6 | 1H-Pyrrole-1-butanoic acid, 2,5-dihydro-2,5-dioxo-, hydrazide
CAS No: 181148-01-6 Catalog No: AG0022PI MDL No:MFCD11519205
Product Description
Catalog Number:
AG0022PI
Chemical Name:
1H-Pyrrole-1-butanoic acid, 2,5-dihydro-2,5-dioxo-, hydrazide
CAS Number:
181148-01-6
Molecular Formula:
C8H11N3O3
Molecular Weight:
197.1912
MDL Number:
MFCD11519205
IUPAC Name:
4-(2,5-dioxopyrrol-1-yl)butanehydrazide
InChI:
InChI=1S/C8H11N3O3/c9-10-6(12)2-1-5-11-7(13)3-4-8(11)14/h3-4H,1-2,5,9H2,(H,10,12)
InChI Key:
BMFQKRITGGSIAB-UHFFFAOYSA-N
SMILES:
NNC(=O)CCCN1C(=O)C=CC1=O
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.08g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
197.194g/mol
Monoisotopic Mass:
197.08g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
92.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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