2-[2-(Cyanomethyl)-4,5-dimethylphenyl]acetonitrile

HCID 305142
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Basic information

CAS
24006-87-9
Standard SMILES
Cc1cc(CC#N)c(CC#N)cc1C
InChIKey
HNLKFFIZNUYEFJ-UHFFFAOYSA-N
Molecular formula
C12H12N2
Average molar mass
184.24 g/mol
Monoisotopic mass
184.10004839

Names & identifiers

Preferred name
2-[2-(Cyanomethyl)-4,5-dimethylphenyl]acetonitrile
IUPAC
2-[2-(cyanomethyl)-4,5-dimethylphenyl]acetonitrile

Names & synonyms

24006-87-92-[2-(cyanomethyl)-4,5-dimethylphenyl]acetonitrileNSC201893SCHEMBL11328742DTXSID80308071HNLKFFIZNUYEFJ-UHFFFAOYSA-NAKOS006311864NSC-2018934,5-dimethyl-1,2-bis-cyanomethyl-benzene2,2'-(4,5-Dimethyl-1,2-phenylene)diacetonitrile

Database identifiers

CAS
24006-87-9
PubChem CID
305142
DTXSID
DTXSID80308071

Properties

Computed structural properties

XLogP
2
Topological polar surface area
47.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
14

Related reactions

8 records
New reaction record

Compound notes

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