CAS
962-13-0 Purity
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962-13-0 Purity
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Benzenepropanenitrile,a-[(dimethylamino)methylene]-4-methoxy-b-oxo-
CAS
96219-74-8
Catalog Number
ACM96219748
Category
Other Products
Molecular Weight
230.26
Molecular Formula
C13H14N2O2
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Specification
Synonyms
2-[(DIMETHYLAMINO)METHYLENE]-3-(4-METHOXYPHENYL)-3-OXO-PROPANENITRILE;3-(DIMETHYLAMINO)-2-(4-METHOXYBENZOYL)ACRYLONITRILE;2-[(Dimethylamino)methylene]-3-(4-methoxyphenyl)-3-oxopropanenitrile 95%;2-[(DIMETHYLAMINO)METHYLENE]-3-(4-METHOXYPHENYL)-3-OXO-PROP
IUPAC Name
(Z)-3-(dimethylamino)-2-(4-methoxybenzoyl)prop-2-enenitrile
Canonical SMILES
CN(C)C=C(C#N)C(=O)C1=CC=C(C=C1)OC
InChI Key
UHFQKFDTQWMNFZ-LUAWRHEFSA-N
Boiling Point
445.7ºC at 760mmHg
Flash Point
223.4ºC
Density
1.122g/cm³
Exact Mass
230.10600
Hazard Statements
Xi: Irritant;
H-Bond Acceptor
4
H-Bond Donor
0
What is the molecular formula of the compound with PubChem CID 2804852?
The molecular formula is C13H14N2O2.
What are some synonyms for the compound with PubChem CID 2804852?
Some synonyms include 2-[(Dimethylamino)methylene]-3-(4-methoxyphenyl)-3-oxo-propanenitrile and 3-(Dimethylamino)-2-(4-methoxybenzoyl)acrylonitrile.
When was the compound with PubChem CID 2804852 created?
It was created on July 19, 2005.
What is the IUPAC Name of the compound with PubChem CID 2804852?
The IUPAC Name is (E)-3-(dimethylamino)-2-(4-methoxybenzoyl)prop-2-enenitrile.
What is the InChIKey of the compound with PubChem CID 2804852?
The InChIKey is UHFQKFDTQWMNFZ-PKNBQFBNSA-N.
What is the molecular weight of the compound with PubChem CID 2804852?
The molecular weight is 230.26 g/mol.
How many hydrogen bond acceptor counts does the compound with PubChem CID 2804852 have?
It has 4 hydrogen bond acceptor counts.
What is the topological polar surface area of the compound with PubChem CID 2804852?
The topological polar surface area is 53.3 Ų.
How many rotatable bond counts does the compound with PubChem CID 2804852 have?
It has 4 rotatable bond counts.
Is the compound with PubChem CID 2804852 canonicalized?
Yes, the compound is canonicalized.
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CAS
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