CAS
93840-72-3 Purity
96%
93840-72-3 Purity
96%
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4-(2,5-Dimethylcyclohexylidene)-2-butenal
CAS
93840-77-8
Catalog Number
ACM93840778
Category
Other Products
Molecular Weight
178.270720 [g/mol]
Molecular Formula
C12H18O
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Specification
Synonyms
EINECS 298-943-8, CID6433008, 4-(2,5-Dimethylcyclohexylidene)-2-butenal, 93840-77-8
IUPAC Name
(E,4E)-4-(2,5-dimethylcyclohexylidene)but-2-enal
Canonical SMILES
CC1CCC(C(=CC=CC=O)C1)C
InChI Key
GJCPNEBGQGWASY-ZDHPXMGNSA-N
Boiling Point
282.7ºC at 760mmHg
Flash Point
137ºC
Density
0.95g/cm³
EC Number
298-943-8
Exact Mass
178.13600
H-Bond Acceptor
1
H-Bond Donor
0
What is the molecular formula of the compound?
The molecular formula of the compound is C12H18O.
What are the synonyms of the compound?
The synonyms of the compound are 4-(2,5-Dimethylcyclohexylidene)-2-butenal, EINECS 298-943-8, and 93840-77-8.
What is the molecular weight of the compound?
The molecular weight of the compound is 178.27 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is (E,4E)-4-(2,5-dimethylcyclohexylidene)but-2-enal.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C12H18O/c1-10-6-7-11(2)12(9-10)5-3-4-8-13/h3-5,8,10-11H,6-7,9H2,1-2H3/b4-3+,12-5+.
What is the InChIKey of the compound?
The InChIKey of the compound is GJCPNEBGQGWASY-ZDHPXMGNSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is CC1CCC(C(=CC=CC=O)C1)C.
What is the isomeric SMILES of the compound?
The isomeric SMILES of the compound is CC1CCC(/C(=C/C=C/C=O)/C1)C.
What is the CAS number of the compound?
The CAS number of the compound is 93840-77-8.
What is the EC number of the compound?
The EC number of the compound is 298-943-8.
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CAS
93840-85-8 Purity
96%
93840-85-8 Purity
96%
