3,4-dimethoxyphthalic acid 518-90-1 CAS NO.518-90-1

Min.Order Quantity:: 1 Gram

Purity:: 99%

Port:: SHANGHAI

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

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Product Details

Keywords

1,2-Benzenedicarboxylicacid, 3,4-dimethoxy-
3,4-dimethoxyphthalic acid
518-90-1

Quick Details

ProName: 3,4-dimethoxyphthalic acid 518-90-1
CasNo: 518-90-1
Molecular Formula: C10H10O6
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】
1,2-benzenedicarboxylicacid, 3,4-dimethoxy-
【iupac name】
3,4-dimethoxyphthalic acid
【cas registry number】
518-90-1
【synonyms】
phthalic acid,3,4-dimethoxy- (6ci,7ci,8ci)
3,4-dimethoxy-1,2-benzenedicarboxylic acid
3,4-dimethoxyphthalic acid
hemipic acid
hemipinic acid
nsc 134534
【einecs(ec#)】
208-259-3
【molecular formula】
c10h10 o6 (products with the same molecular formula)
【molecular weight】
226.1828
【inchi】
inchi=1/c10h10o6/c1-15-6-4-3-5(9(11)12)7(10(13)14)8(6)16-2/h3-4h,1-2h3,(h,11,12)(h,13,14)
【canonical smiles】
coc1=c(c(=c(c=c1)c(=o)o)c(=o)o)oc
【mol file】
518-90-1.mol
chemical and physical properties
【density】
1.391g/cm3
【boiling point】
396.2°cat760mmhg
【refractive index】
1.572
【flash point】
157.8°c
【computed properties】
molecular weight:226.1828 [g/mol]
molecular formula:c10h10o6
xlogp3-aa:0.9
h-bond donor:2
h-bond acceptor:6
rotatable bond count:4
exact mass:226.047738
monoisotopic mass:226.047738
topological polar surface area:93.1
heavy atom count:16
formal charge:0
complexity:277
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:6
feature 3d anion count:2
feature 3d ring count:1
effective rotor count:4
conformer sampling rmsd:0.6
cid conformer count:7