Butanoic acid,3-oxo-2-(2-phenyldiazenyl)-, ethyl ester(CAS No. 5462-33-9) CAS NO.5462-33-9

Min.Order Quantity:: 1 Gram

Purity:: 99%

Port:: SHANGHAI

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Keywords

Butanoic acid,3-oxo-2-(2-phenyldiazenyl)-, ethyl ester
5462-33-9
98%

Quick Details

ProName: Butanoic acid,3-oxo-2-(2-phenyldiazeny...
CasNo: 5462-33-9
Molecular Formula: C12H14 N2 O3
Appearance: Solid
Application: Organic Chemicals
DeliveryTime: according to client's demand quantity
PackAge: as requested
Port: SHANGHAI
ProductionCapacity: 100 Kilogram/Month
Purity: 99%
Storage: room temperature
Transportation: as requested
LimitNum: 1 Gram
Grade: Industrial Grade

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Details

【name】
butanoic acid,3-oxo-2-(2-phenyldiazenyl)-, ethyl ester
【iupac name】
ethyl 3-oxo-2-phenyldiazenylbutanoate
【cas registry number】
5462-33-9
【synonyms】
acetoaceticacid, 2-(phenylazo)-, ethyl ester (7ci,8ci)
butanoic acid,3-oxo-2-(phenylazo)-, ethyl ester (9ci)
ethyl 2-phenylazo-3-oxobutyrate
ethyl2-phenylazoacetoacetate
nsc 17512
【einecs(ec#)】
226-751-6
【molecular formula】
c12h14 n2 o3 (products with the same molecular formula)
【molecular weight】
234.25
【inchi】
inchi=1/c12h14n2o3/c1-3-17-12(16)11(9(2)15)14-13-10-7-5-4-6-8-10/h4-8,11h,3h2,1-2h3/b14-13+
【canonical smiles】
ccoc(=o)c(c(=o)c)n=nc1=cc=cc=c1
【mol file】
5462-33-9.mol
chemical and physical properties
【density】
1.13g/cm3
【boiling point】
297.1°cat760mmhg
【refractive index】
1.534
【flash point】
115.5°c
【computed properties】
molecular weight:234.25116 [g/mol]
molecular formula:c12h14n2o3
xlogp3-aa:2.4
h-bond donor:0
h-bond acceptor:5
rotatable bond count:6
tautomer count:7
exact mass:234.100442
monoisotopic mass:234.100442
topological polar surface area:68.1
heavy atom count:17
formal charge:0
complexity:296
isotope atom count:0
defined atom stereocenter count:0
undefined atom stereocenter count:1
defined bond stereocenter count:0
undefined bond stereocenter count:0
covalently-bonded unit count:1
feature 3d acceptor count:2
feature 3d anion count:1
feature 3d ring count:1
effective rotor count:6
conformer sampling rmsd:0.8
cid conformer count:91