CAS
93840-71-2 Purity
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93840-71-2 Purity
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4-(3-Methoxyprop-1-en-1-yl)-1,3-dimethylcyclohexene
CAS
93840-76-7
Catalog Number
ACM93840767
Category
Other Products
Molecular Weight
180.286600 [g/mol]
Molecular Formula
C12H20O
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Specification
Synonyms
EINECS 298-942-2, CID6366257, 4-(3-Methoxyprop-1-en-1-yl)-1,3-dimethylcyclohexene, 93840-76-7
IUPAC Name
4-[(E)-3-methoxyprop-1-enyl]-1,3-dimethylcyclohexene
Canonical SMILES
CC1C=C(CCC1C=CCOC)C
InChI Key
HCRGRVZLFBLUGI-SNAWJCMRSA-N
Boiling Point
234.6ºC at 760 mmHg
Flash Point
82.2ºC
Density
0.917g/cm³
EC Number
298-942-2
Exact Mass
180.15100
H-Bond Acceptor
1
H-Bond Donor
0
What is the molecular formula of the compound?
The molecular formula of the compound is C12H20O.
What is the synonym for the compound?
The synonym for the compound is 4-(3-Methoxyprop-1-en-1-yl)-1,3-dimethylcyclohexene.
What is the molecular weight of the compound?
The molecular weight of the compound is 180.29 g/mol.
When was the compound created?
The compound was created on August 8, 2005.
When was the compound last modified?
The compound was last modified on December 30, 2023.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 4-[(E)-3-methoxyprop-1-enyl]-1,3-dimethylcyclohexene.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C12H20O/c1-10-6-7-12(11(2)9-10)5-4-8-13-3/h4-5,9,11-12H,6-8H2,1-3H3/b5-4+.
What is the InChIKey of the compound?
The InChIKey of the compound is HCRGRVZLFBLUGI-SNAWJCMRSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is CC1C=C(CCC1C=CCOC)C.
What is the isomeric SMILES of the compound?
The isomeric SMILES of the compound is CC1C=C(CCC1/C=C/COC)C.
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