- Product Details
Keywords
- 762-21-0 supplier
- Diethyl acetylenedicarboxylate China
- Diethyl acetylenedicarboxylate 98% min
Quick Details
- ProName: Diethyl acetylenedicarboxylate 98% min...
- CasNo: 762-21-0
- Molecular Formula: C8H10O4
- Appearance: clear light yellow liquid
- Application: reagent
- Port: shanghai
- ProductionCapacity: Metric Ton/Day
- Purity: 98% min
- Storage: keep away form oxide and in 0-6°C
- Transportation: by air or by sea
- LimitNum: 1 Kilogram
Superiority
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Details
1. Introduction of Diethyl acetylenedicarboxylate
The Diethyl acetylenedicarboxylate, with its CAS NO 762-21-0, is a kind of White powder. It has synonyms of 2-Butynedioicacid, diethyl ester (9CI);Acetylenedicarboxylic acid, diethyl ester(6CI,7CI,8CI);Bis(carboethoxy)acetylene;Bis(ethoxycarbonyl)acetylene;Diethyl1,2-acetylenedicarboxylate and Diethylacetylenedicarboxylate.
2. Properties of Diethyl acetylenedicarboxylate
Molecular Weight 170.1626 [g/mol]
Molecular Formula C8H10O4
XLogP3-AA 1.5
H-Bond Acceptor 4
Rotatable Bond Count 4
Exact Mass 170.057909
MonoIsotopic Mass 170.057909
Topological Polar Surface Area 52.6
Heavy Atom Count 12
Complexity 208
Covalently-Bonded Unit Count 1
Feature 3D Acceptor Count 2
Effective Rotor Count 4
Conformer Sampling RMSD 0.6
CID Conformer Count 10
3. Structure descriptors of Diethyl acetylenedicarboxylate
IUPAC Name: diethyl but-2-ynedioate
InChI: InChI=1S/C8H10O4/c1-3-11-7(9)5-6-8(10)12-4-2/h3-4H2,1-2H3
InChIKey: STRNXFOUBFLVIN-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C#CC(=O)OCC