6-Phthalazinecarboxylicacid, 3,4-dihydro-1-(hydroxymethyl)-5,7-dimethyl-4-oxo-, ethyl ester(CAS No. 56611-65-5) CAS NO.56611-65-5

Min.Order Quantity:: 1 Kilogram

Purity:: 99%

Port:: SHANGHAI

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Keywords

6-Phthalazinecarboxylicacid, 3,4-dihydro-1-(hydroxymethyl)-5,7-dimethyl-4-oxo-, ethyl ester
56611-65-5
98%

Quick Details

ProName: 6-Phthalazinecarboxylicacid, 3,4-dihyd...
CasNo: 56611-65-5
Molecular Formula: C14H16 N2 O4
Appearance: Solid
Application: Organic Chemicals
DeliveryTime: According to client's demand quantity
PackAge: as requested
Port: SHANGHAI
ProductionCapacity: 1 Metric Ton/Month
Purity: 99%
Storage: room temperature
Transportation: as requested
LimitNum: 1 Kilogram

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Details

name】
6-phthalazinecarboxylicacid, 3,4-dihydro-1-(hydroxymethyl)-5,7-dimethyl-4-oxo-, ethyl ester
【iupac name】
ethyl 1-(hydroxymethyl)-5,7-dimethyl-4-oxo-3h-phthalazine-6-carboxylate
【cas registry number】
56611-65-5
【synonyms】
eg 626
nsc305351
oxagrelate
phthalazinol
phthalazinol (phosphodiesterase inhibitor)
【molecular formula】
c14h16 n2 o4 (products with the same molecular formula)
【molecular weight】
276.32
【inchi】
inchi=1/c14h16n2o4/c1-4-20-14(19)11-7(2)5-9-10(6-17)15-16-13(18)12(9)8(11)3/h5,17h,4,6h2,1-3h3,(h,16,18)
【canonical smiles】
ccoc(=o)c1=c(c=c2c(=nnc(=o)c2=c1c)co)c
【mol file】
56611-65-5.mol
chemical and physical properties
【density】
1.34g/cm3
【refractive index】
1.609
【computed properties】
molecular weight:276.28784 [g/mol]
molecular formula:c14h16n2o4
xlogp3-aa:1.3
h-bond donor:2
h-bond acceptor:5
rotatable bond count:4
tautomer count:42
exact mass:276.111007
monoisotopic mass:276.111007
topological polar surface area:88
heavy atom count:20
formal charge:0
complexity:435
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
feature 3d acceptor count:4
feature 3d donor count:2
feature 3d ring count:2
effective rotor count:4
conformer sampling rmsd:0.6
cid conformer count:8