Acetoxime benzoate

CAT: 0127-OR917748-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR917748-01Size:5 g

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CAS Number

942-89-2

MDL Number

MFCD00059364

Purity

97%

Smiles

CC(=NOC(=O)c1ccccc1)C

Chemical Information

Acetoxime benzoate

CAS Number	942-89-2
PubChem CID	569855
IUPAC Name	(propan-2-ylideneamino) benzoate
Molecular Formula	C10H11NO2
Molecular Weight	177.20
XLogP	2
Topological Polar Surface Area	38.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	13
Formal Charge	0
Complexity	201

SMILES

CC(=NOC(=O)C1=CC=CC=C1)C

InChI

InChI=1S/C10H11NO2/c1-8(2)11-13-10(12)9-6-4-3-5-7-9/h3-7H,1-2H3

InChIKey

CTIVZNURROIUHT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 942-89-2

CID: 569855

Formula: C10H11NO2

MW: 177.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	177.20
XLogP3	2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	177.078978594
Monoisotopic Mass	177.078978594
Topological Polar Surface Area	38.7 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	201
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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