6-Isoquinolineaceticacid, 2,3-dihydro-7-methyl-3-oxo-, ethyl ester(CAS No. 55329-69-6) CAS NO.55329-69-6

Min.Order Quantity:: 1 Gram

Purity:: 99%

Port:: SHANGHAI

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Keywords

6-Isoquinolineaceticacid, 2,3-dihydro-7-methyl-3-oxo-, ethyl ester
55329-69-6
98%

Quick Details

ProName: 6-Isoquinolineaceticacid, 2,3-dihydro-...
CasNo: 55329-69-6
Molecular Formula: C14H15 N 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

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Details

【name】
6-isoquinolineaceticacid, 2,3-dihydro-7-methyl-3-oxo-, ethyl ester
【iupac name】
ethyl 2-(7-methyl-3-oxo-2h-isoquinolin-6-yl)acetate
【cas registry number】
55329-69-6
【synonyms】
6-carbethoxymethyl-3-hydroxy-7-methylisoquinoline
nsc 300565
【molecular formula】
c14h15 n o3 (products with the same molecular formula)
【molecular weight】
0
【inchi】
inchi=1/c14h15no3/c1-3-18-14(17)7-10-5-11-6-13(16)15-8-12(11)4-9(10)2/h4-6,8h,3,7h2,1-2h3,(h,15,16)
【canonical smiles】
ccoc(=o)cc1=cc2=cc(=o)nc=c2c=c1c
【mol file】
55329-69-6.mol
chemical and physical properties
【density】
1.2g/cm3
【boiling point】
542.4°c at 760 mmhg
【refractive index】
1.576
【flash point】
281.8°c
【computed properties】
molecular weight:245.2738 [g/mol]
molecular formula:c14h15no3
xlogp3-aa:0.2
h-bond donor:1
h-bond acceptor:3
rotatable bond count:4
tautomer count:20
exact mass:245.105193
monoisotopic mass:245.105193
topological polar surface area:55.4
heavy atom count:18
formal charge:0
complexity:521
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:2
feature 3d donor count:1
feature 3d ring count:2
effective rotor count:4
conformer sampling rmsd:0.6
cid conformer count:33