4- (Phenylhydrazono) pentanoic acid

CAT: 0127-OR1003015-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1003015-01Size:250 mg

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CAS Number

588-60-3

MDL Number

MFCD00059636

Purity

95%

Smiles

CC(CCC(O)=O)=NNc1ccccc1

Chemical Information

Levulinic acid phenylhydrazone

CAS Number	588-60-3
PubChem CID	5355075
IUPAC Name	(4E)-4-(phenylhydrazinylidene)pentanoic acid
Molecular Formula	C11H14N2O2
Molecular Weight	206.24
XLogP	1.5
Topological Polar Surface Area	61.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	15
Formal Charge	0
Complexity	233

SMILES

C/C(=N\NC1=CC=CC=C1)/CCC(=O)O

InChI

InChI=1S/C11H14N2O2/c1-9(7-8-11(14)15)12-13-10-5-3-2-4-6-10/h2-6,13H,7-8H2,1H3,(H,14,15)/b12-9+

InChIKey

KBIUZPWRIZWXRB-FMIVXFBMSA-N

Chemical Structure

2D Structure

CAS: 588-60-3

CID: 5355075

Formula: C11H14N2O2

MW: 206.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	206.24
XLogP3	1.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	206.105527694
Monoisotopic Mass	206.105527694
Topological Polar Surface Area	61.7 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	233
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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