2(1H)-Quinoxalinone,3-(dihydro-2-oxo-3(2H)-furanylidene)-3,4-dihydro- 53959-45-8 CAS NO.53959-45-8

Min.Order Quantity:: 1 Gram

Purity:: 99%

Port:: SHANGHAI

Payment Terms:: L/C,T/T,

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Product Details

Keywords

2(1H)-Quinoxalinone,3-(dihydro-2-oxo-3(2H)-furanylidene)-3,4-dihydro-
53959-45-8
98%

Quick Details

ProName: 2(1H)-Quinoxalinone,3-(dihydro-2-oxo-3...
CasNo: 53959-45-8
Molecular Formula: C12H10 N2 O3
Appearance: Solid
Application: Organic Chemicals
DeliveryTime: as client's demand quantity
PackAge: as requested
Port: SHANGHAI
ProductionCapacity: 100 Kilogram/Month
Purity: 99%
Storage: room temperature
Transportation: as requested
LimitNum: 1 Gram
Heavy metal: N/A
Grade: Industrial Grade

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Details

identification and related records
【name】
2(1h)-quinoxalinone,3-(dihydro-2-oxo-3(2h)-furanylidene)-3,4-dihydro-
【iupac name】
(3z)-3-(2-oxooxolan-3-ylidene)-1,4-dihydroquinoxalin-2-one
【cas registry number】
53959-45-8
【synonyms】
1,2,3,4-tetrahydro-3-(tetrahydro-2-oxo-3-furanylidene)-2-quinoxalinone
nsc 297117
【molecular formula】
c12h10 n2 o3 (products with the same molecular formula)
【molecular weight】
230.2194
【inchi】
inchi=1/c12h10n2o3/c15-11-10(7-5-6-17-12(7)16)13-8-3-1-2-4-9(8)14-11/h1-4,13h,5-6h2,(h,14,15)/b10-7-
【canonical smiles】
c1coc(=o)c1=c2c(=o)nc3=cc=cc=c3n2
【isomers smiles】
c\1coc(=o)/c1=c\2/c(=o)nc3=cc=cc=c3n2
chemical and physical properties
【density】
1.403g/cm3
【boiling point】
502°cat760mmhg
【refractive index】
1.631
【flash point】
257.4°c
【computed properties】
molecular weight:230.2194 [g/mol]
molecular formula:c12h10n2o3
xlogp3-aa:1.1
h-bond donor:2
h-bond acceptor:4
rotatable bond count:0
tautomer count:6
exact mass:230.069142
monoisotopic mass:230.069142
topological polar surface area:67.4
heavy atom count:17
formal charge:0
complexity:403
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
feature 3d acceptor count:2
feature 3d donor count:2
feature 3d cation count:1
feature 3d ring count:3
effective rotor count:1
conformer sampling rmsd:0.6
cid conformer count:1