3-Quinolinecarboxaldehyde,1,2-dihydro-4-hydroxy-2-oxo- 529-89-5 CAS NO.529-89-5

Min.Order Quantity:: 1 Gram

Purity:: 99%

Port:: SHANGHAI

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

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Product Details

Keywords

3-Quinolinecarboxaldehyde,1,2-dihydro-4-hydroxy-2-oxo-
3-Quinolinecarboxaldehyde,1,2-dihydro-4-hydroxy-2-oxo-
529-89-5

Quick Details

ProName: 3-Quinolinecarboxaldehyde,1,2-dihydro-...
CasNo: 529-89-5
Molecular Formula: C10H7NO3
Appearance: Liquid
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】
3-quinolinecarboxaldehyde,1,2-dihydro-4-hydroxy-2-oxo-
【iupac name】
(3z)-3-(hydroxymethylidene)-1h-quinoline-2,4-dione
【cas registry number】
529-89-5
【synonyms】
2,4-dihydroxy-3-formylquinoline
2,4-dihydroxy-3-quinolinecarboxaldehyde
3-formyl-2,4-dihydroxyquinoline
nsc16027
nordictamnal
【molecular formula】
c10h7 n o3 (products with the same molecular formula)
【molecular weight】
189.1675
【inchi】
inchi=1/c10h7no3/c12-5-7-9(13)6-3-1-2-4-8(6)11-10(7)14/h1-5,12h,(h,11,14)/b7-5-
【canonical smiles】
c1=cc=c2c(=c1)c(=o)c(=co)c(=o)n2
【isomers smiles】
c1=cc=c2c(=c1)c(=o)/c(=c/o)/c(=o)n2
【mol file】
529-89-5.mol
chemical and physical properties
【density】
1.531g/cm3
【boiling point】
433.1°cat760mmhg
【refractive index】
1.74
【flash point】
215.7°c
【computed properties】
molecular weight:189.16748 [g/mol]
molecular formula:c10h7no3
xlogp3-aa:1.3
h-bond donor:2
h-bond acceptor:3
rotatable bond count:0
tautomer count:21
exact mass:189.042593
monoisotopic mass:189.042593
topological polar surface area:66.4
heavy atom count:14
formal charge:0
complexity:309
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 anion count:1
feature 3d ring count:2
effective rotor count:0.2
conformer sampling rmsd:0.4
cid conformer count:1