CAS
97630-12-1 Purity
96%
97630-12-1 Purity
96%
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Decahydro-4b,6,6-trimethyl-8H-benzo[3,4]cyclobuta[1,2-b]pyran-8-one
CAS
97635-26-2
Catalog Number
ACM97635262
Category
Other Products
Molecular Weight
222.32328;g/mol
Molecular Formula
C14H22O2
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Specification
Synonyms
Decahydro-4b,6,6-trimethyl-8H-benzo(3,4)cyclobuta(1,2-b)pyran-8-one;
IUPAC Name
EINECS 307-387-8
Canonical SMILES
CC1(CC(=O)C2C3C(C2(C1)C)CCCO3)C
InChI Key
NSKPIVOZPLDHHW-UHFFFAOYSA-N
Boiling Point
305.7ºC at 760 mmHg
Flash Point
122.3ºC
Density
1.031g/cm³
EC Number
307-387-8
Exact Mass
222.16200
What is the molecular formula of the compound mentioned in the reference?
The molecular formula is C14H22O2.
What is the molecular weight of the compound?
The molecular weight is 222.32 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is 8,10,10-trimethyl-3-oxatricyclo[6.4.0.0 2,7]dodecan-12-one.
What is the CAS number of the compound?
The CAS number is 97635-26-2.
How many hydrogen bond acceptor counts does the compound have?
The compound has 2 hydrogen bond acceptor counts.
What is the topological polar surface area of the compound?
The topological polar surface area is 26.3 Ų.
How many rotatable bond counts does the compound have?
The compound has 0 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
What is the exact mass of the compound?
The exact mass is 222.161979940 g/mol.
How many undefined atom stereocenter counts does the compound have?
The compound has 4 undefined atom stereocenter counts.
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CAS
97635-31-9 Purity
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97635-31-9 Purity
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