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4-[(2-methylphenyl)formohydrazido]-4-oxobutanoic acid

4-[(2-methylphenyl)formohydrazido]-4-oxobutanoic acid

Formula: C12H14N2O4

SMILES: CC1=CC=CC=C1C(=O)NNC(=O)CCC(O)=O

IUPAC: 4-[(2-methylphenyl)formohydrazido]-4-oxobutanoic acid

InChI: InChI=1S/C12H14N2O4/c1-8-4-2-3-5-9(8)12(18)14-13-10(15)6-7-11(16)17/h2-5H,6-7H2,1H3,(H,13,15)(H,14,18)(H,16,17)

Composition: C (57.59%), H (5.64%), N (11.19%), O (25.57%)

Molar Mass: 250.254

Atom Count: 32

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 250.095356939
Formal Charge 0
FSP3 0.25
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 3
InChIKey DSRNODSTDLPDOB-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 63.94
Topological Polar Surface Area 95.5
Polarizability 24.11
Ring Count 1
Rotatable Bond Count 5

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C12H14N2O4 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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