CAS
94-26-38 Purity
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94-26-38 Purity
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1H-2-Benzopyran,3,4,4a,7,8,8a-hexahydro-3,3,6,7-tetramethyl-,(4aa,7a,8ab)-(9ci)
CAS
94265-96-0
Catalog Number
ACM94265960
Category
Other Products
Molecular Weight
194.31318
Molecular Formula
C13H22O
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Specification
Synonyms
EINECS 304-401-4, (4aalpha,7alpha,8abeta)-3,4,4a,7,8,8a-Hexahydro-3,3,6,7-tetramethyl-1H-2-benzopyran, 94265-96-0
IUPAC Name
(4aR,7S,8aR)-3,3,6,7-tetramethyl-1,4,4a,7,8,8a-hexahydroisochromene
InChI Key
HIHXXYCXFIAFGQ-SRVKXCTJSA-N
Density
0.886g/cm³
H-Bond Acceptor
1
H-Bond Donor
0
What is the molecular formula of the compound?
The molecular formula of the compound is C13H22O.
What are the synonyms for the compound?
The synonyms for the compound are EINECS 304-401-4 and 94265-96-0.
What is the molecular weight of the compound?
The molecular weight of the compound is 194.31 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is (4aR,7S,8aR)-3,3,6,7-tetramethyl-1,4,4a,7,8,8a-hexahydroisochromene.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C13H22O/c1-9-5-11-7-13(3,4)14-8-12(11)6-10(9)2/h5,10-12H,6-8H2,1-4H3/t10-,11-,12-/m0/s1.
What is the InChIKey of the compound?
The InChIKey of the compound is HIHXXYCXFIAFGQ-SRVKXCTJSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is CC1CC2COC(CC2C=C1C)(C)C.
What is the isomeric SMILES of the compound?
The isomeric SMILES of the compound is C[C@H]1C[C@H]2COC(C[C@@H]2C=C1C)(C)C.
What is the CAS number of the compound?
The CAS number of the compound is 94265-96-0.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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