- 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
Superiority
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