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188944-35-6 | Benzeneacetic acid, 4-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)-, hydrazide
CAS No: 188944-35-6 Catalog No: AG002HKA MDL No:
Product Description
Catalog Number:
AG002HKA
Chemical Name:
Benzeneacetic acid, 4-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)-, hydrazide
CAS Number:
188944-35-6
Molecular Formula:
C12H11N3O3
Molecular Weight:
245.2340
IUPAC Name:
2-[4-(2,5-dioxopyrrol-1-yl)phenyl]acetohydrazide
InChI:
InChI=1S/C12H11N3O3/c13-14-10(16)7-8-1-3-9(4-2-8)15-11(17)5-6-12(15)18/h1-6H,7,13H2,(H,14,16)
InChI Key:
LVCRRPOBKJECNL-UHFFFAOYSA-N
SMILES:
NNC(=O)Cc1ccc(cc1)N1C(=O)C=CC1=O
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.08g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
245.238g/mol
Monoisotopic Mass:
245.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
92.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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