CAS
904814-74-0 Purity
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904814-74-0 Purity
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3-(Biphenyl-4-ylamino)-2-cyano-acrylic acid ethyl ester
CAS
904815-00-5
Catalog Number
ACM904815005
Category
Other Products
Molecular Weight
292.33
Molecular Formula
C18H16N2O2
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Specification
Synonyms
3-(BIPHENYL-4-YLAMINO)-2-CYANO-ACRYLIC ACID ETHYL ESTER
What is the molecular formula of the compound?
The molecular formula is C18H16N2O2.
What is the molecular weight of the compound?
The molecular weight is 292.3 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is ethyl 2-cyano-3-(4-phenylanilino)prop-2-enoate.
What is the InChI of the compound?
The InChI is InChI=1S/C18H16N2O2/c1-2-22-18(21)16(12-19)13-20-17-10-8-15(9-11-17)14-6-4-3-5-7-14/h3-11,13,20H,2H2,1H3.
What is the InChIKey of the compound?
The InChIKey is BEAYNHUNFJQNTI-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES is CCOC(=O)C(=CNC1=CC=C(C=C1)C2=CC=CC=C2)C#N.
What is the CAS number of the compound?
The CAS number is 904815-00-5.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 4.4.
How many hydrogen bond donor counts does the compound have?
The compound has 1 hydrogen bond donor count.
How many rotatable bond counts does the compound have?
The compound has 6 rotatable bond counts.
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