alpha-p-Nitrophenyl-p-acetoxycinnamic Acid

HCID 53778129
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Basic information

Standard SMILES
CC(=O)Oc1ccc(C=C(C(=O)O)c2ccc([N+](=O)[O-])cc2)cc1
InChIKey
DTHVOZQLPOPYSG-UHFFFAOYSA-N
Molecular formula
C17H13NO6
Average molar mass
327.29 g/mol

Names & identifiers

Preferred name
alpha-p-Nitrophenyl-p-acetoxycinnamic Acid
IUPAC
3-(4-acetyloxyphenyl)-2-(4-nitrophenyl)prop-2-enoic acid

Names & synonyms

SCHEMBL8852366DTHVOZQLPOPYSG-UHFFFAOYSA-Na-p-Nitrophenyl-p-acetoxycinnamic Acidalpha-p-Nitrophenyl-p-acetoxycinnamic Acid

Database identifiers

PubChem CID
53778129

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
109 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
5
Heavy atoms
24

Related reactions

16 records
New reaction record

Compound notes

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