CAS
913836-27-8 Purity
98%
913836-27-8 Purity
98%
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Ethyl 2-cyano-2-(4,5-dimethoxy-2-nitrophenyl)acetate
CAS
913837-98-6
Catalog Number
ACM913837986
Category
Other Products
Molecular Weight
294.260060 [g/mol]
Molecular Formula
C13H14N2O6
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Specification
Synonyms
ethyl 2-cyano-2-(4,5-dimethoxy-2-nitrophenyl)acetate, SCHEMBL4082665, GZTDLNRSPSELSD-UHFFFAOYSA-N, DB-079004, 913837-98-6
IUPAC Name
ethyl 2-cyano-2-(4,5-dimethoxy-2-nitrophenyl)acetate
Canonical SMILES
CCOC(=O)C(C#N)C1=CC(=C(C=C1[N+](=O)[O-])OC)OC
InChI Key
GZTDLNRSPSELSD-UHFFFAOYSA-N
Exact Mass
294.08500
H-Bond Acceptor
7
H-Bond Donor
0
What is the IUPAC name of the compound?
The IUPAC name of the compound is ethyl 2-cyano-2-(4,5-dimethoxy-2-nitrophenyl)acetate.
What is the molecular formula of the compound?
The molecular formula of the compound is C13H14N2O6.
What are the synonyms for the compound?
The synonyms for the compound are SCHEMBL4082665 and FT-0714328.
What is the molecular weight of the compound?
The molecular weight of the compound is 294.26 g/mol.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C13H14N2O6/c1-4-21-13(16)9(7-14)8-5-11(19-2)12(20-3)6-10(8)15(17)18/h5-6,9H,4H2,1-3H3.
What is the InChIKey of the compound?
The InChIKey of the compound is GZTDLNRSPSELSD-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is CCOC(=O)C(C#N)C1=CC(=C(C=C1[N+](=O)[O-])OC)OC.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 1.8.
How many hydrogen bond donor counts does the compound have?
The compound has 0 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does the compound have?
The compound has 7 hydrogen bond acceptor counts.
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