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BM-42304

CAT: 0013-GTR19211530-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19211530-01Size:25 mg
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Description
BM-42304
CAS Number
88333-74-8
Smiles
C (=C (/CNN=C (C (O) =O) C) \C) \C1=CC=CC=C1
Molecular Formula
C13H16N2O2
Molecular Weight
232.28
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

BM 42304
CAS Number88333-74-8
PubChem CID9576969
IUPAC Name(2E)-2-[[(Z)-3-phenylbut-2-enyl]hydrazinylidene]propanoic acid
Molecular FormulaC13H16N2O2
Molecular Weight232.28
XLogP3.6
Topological Polar Surface Area61.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count17
Formal Charge0
Complexity315
SMILES
C/C(=C/CN/N=C(\C)/C(=O)O)/C1=CC=CC=C1
InChI
InChI=1S/C13H16N2O2/c1-10(12-6-4-3-5-7-12)8-9-14-15-11(2)13(16)17/h3-8,14H,9H2,1-2H3,(H,16,17)/b10-8-,15-11+
InChIKey
GBICOXAPNWYSMS-PDCIDALTSA-N
Chemical Structure
2D Structure
2D structure of BM 42304
CAS: 88333-74-8
CID: 9576969
Formula: C13H16N2O2
MW: 232.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight232.28
XLogP33.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass232.121177757
Monoisotopic Mass232.121177757
Topological Polar Surface Area61.7 Ų
Heavy Atom Count17
Formal Charge0
Complexity315
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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