CAS
942631-77-8 Purity
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942631-77-8 Purity
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3-Buten-2-ol,4-bicyclo[2.2.1]hept-5-en-2-yl-3-methyl-
CAS
94265-95-9
Catalog Number
ACM94265959
Category
Other Products
Molecular Weight
178.2707
Molecular Formula
C12H18O
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Specification
Synonyms
4-BICYCLO[2.2.1]HEPT-5-EN-2-YL-3-METHYL-3-BUTEN-2-OL, 94265-95-9, CTK5H6140, AG-H-88998
IUPAC Name
4-(5-bicyclo[2.2.1]hept-2-enyl)-3-methylbut-3-en-2-ol
Canonical SMILES
CC(C(=CC1CC2CC1C=C2)C)O
InChI Key
LUAIZEQJXRXHQC-UHFFFAOYSA-N
Boiling Point
273.6ºC at 760mmHg
Flash Point
111.7ºC
Density
1.079g/cm³
EC Number
304-400-9
Exact Mass
178.13600
H-Bond Acceptor
1
H-Bond Donor
1
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 EINECS 304-400-9, 4-Bicyclo(2.2.1)hept-5-en-2-yl-3-methyl-3-buten-2-ol, and 94265-95-9.
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)-4-(2-bicyclo[2.2.1]hept-5-enyl)-3-methylbut-3-en-2-ol.
What is the InChI code of the compound?
The InChI code of the compound is InChI=1S/C12H18O/c1-8(9(2)13)5-12-7-10-3-4-11(12)6-10/h3-5,9-13H,6-7H2,1-2H3/b8-5+.
What is the InChIKey of the compound?
The InChIKey of the compound is LUAIZEQJXRXHQC-VMPITWQZSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is CC(C(=CC1CC2CC1C=C2)C)O.
What is the isomeric SMILES of the compound?
The isomeric SMILES of the compound is CC(/C(=C/C1CC2CC1C=C2)/C)O.
What is the CAS number of the compound?
The CAS number of the compound is 94265-95-9.
What is the formal charge of the compound?
The formal charge of the compound is 0.
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CAS
94265-96-0 Purity
96%
94265-96-0 Purity
96%
