2-[ (Acetyloxy) imino]propane

CAT: 0127-OR27980-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR27980-01Size:250 mg

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CAS Number

18312-45-3

MDL Number

MFCD00220663

Purity

95%

Smiles

CC (=NOC (=O) C) C

Chemical Information

propan-2-one O-acetyl oxime

CAS Number	18312-45-3
PubChem CID	2795071
IUPAC Name	(propan-2-ylideneamino) acetate
Molecular Formula	C5H9NO2
Molecular Weight	115.13
XLogP	0.3
Topological Polar Surface Area	38.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	8
Formal Charge	0
Complexity	114

SMILES

CC(=NOC(=O)C)C

InChI

InChI=1S/C5H9NO2/c1-4(2)6-8-5(3)7/h1-3H3

InChIKey

GMZRHQOQCJMESC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 18312-45-3

CID: 2795071

Formula: C5H9NO2

MW: 115.13

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	115.13
XLogP3	0.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	115.063328530
Monoisotopic Mass	115.063328530
Topological Polar Surface Area	38.7 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	114
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

Catalog	Name
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OR22812	2- (acetyloxy) -3-[ (acetyloxy) methyl]-5-methylbenzyl acetate
OR24389	2- ({[ (5-methyl-3-phenylisoxazol-4-yl) carbonyl]oxy}imino) propane-1-thiol
OR4289-01	2- (2'-Bromophenoxy) propane
OR1038965-01	Propane-2,2-diyldibenzene
OR965620-01	2- (2-Bromoethoxy) propane
PC32482	2- (acetyloxy) -3-fluorophenyl acetate
OR1003108-01	2- (Acetyloxy) -6-methylbenzoic acid
BUP11046-01	2- (Acetyloxy) -3-Methylbenzoic Acid

Catalog	Name
469636-01	(αZ) -α-[ (Acetyloxy) imino]-2-amino-4-thiazoleacetic Acid + (αZ) -α-[ (Acetyloxy) imino]-2- (formylamino) -4-thiazoleacetic Acid (Mixture)
469634-01	(αZ) -α-[ (Acetyloxy) imino]-2- (formylamino) -4-thiazoleacetic Acid
469635-01	(αZ) -α-[ (Acetyloxy) imino]-2- (formylamino) -4-thiazoleacetic Acid-13C,15N2
TRC-E928425-25MG	Ethyl (2Z)-2-[(Acetyloxy)imino]-2-amino-acetic Acid Ester
PTB33291-01	{3-[ (Acetyloxy) imino]-2,3-dihydro-1H-isoindol-1-ylidene}amino acetate
S-3145	Propane
RM-I192009-01	Irbesartan Acetyloxy Impurity; Losartan Acetyloxy Impurity
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TRC-A415250-1G	Acetyloxy Lacosamide
TRC-A416500-1G	Acetyloxy Exemestane