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4-methylcyclohexene
chemical compound
Cyclohexene, 4-methyl-
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Statements
instance of
group of stereoisomers
0 references
subclass of
methylcyclohexene
0 references
biogenic aliphatic hydrocarbon
1 reference
inferred from
biogenic aliphatic hydrocarbon
mass
96.093900384
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₇H₁₂
0 references
canonical SMILES
C1=CCC(C)CC1
0 references
found in taxon
Chrysanthemum morifolium
1 reference
stated in
Identification of floral scent in chrysanthemum cultivars and wild relatives by gas chromatography-mass spectrometry.
Oryza sativa
1 reference
stated in
Bio-fuel oil characteristic of rice bran wax pyrolysis
Identifiers
InChI
InChI=1S/C7H12/c1-7-5-3-2-4-6-7/h2-3,7H,4-6H2,1H3
0 references
InChIKey
FSWCCQWDVGZMRD-UHFFFAOYSA-N
0 references
CAS Registry Number
591-47-9
1 reference
InChIKey
FSWCCQWDVGZMRD-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
10 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=591-47-9
PubChem CID
11572
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
FSWCCQWDVGZMRD-UHFFFAOYSA-N
UniChem compound ID
23810181
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-Fac_Eng_Univ_Tokyo-JP006002
0 references
MSBNK-Fac_Eng_Univ_Tokyo-JP005338
0 references
DSSTox substance ID
DTXSID10862257
1 reference
matched by identifier from
InChIKey
InChIKey
FSWCCQWDVGZMRD-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID80811050
0 references
NSC number
9386
0 references
KNApSAcK ID
C00062339
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
FSWCCQWDVGZMRD-UHFFFAOYSA-N
UNII
2N22W8H0JX
1 reference
matched by identifier from
InChIKey
InChIKey
FSWCCQWDVGZMRD-UHFFFAOYSA-N
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