CAS
94291-82-4 Purity
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94291-82-4 Purity
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3-Chlorohexahydro-3-methyl-3H-benzofuran-2-one
CAS
94291-91-5
Catalog Number
ACM94291915
Category
Other Products
Molecular Weight
188.651320 [g/mol]
Molecular Formula
C9H13ClO2
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Specification
Synonyms
EINECS 304-919-0, 3-Chlorohexahydro-3-methyl-3H-benzofuran-2-one, 94291-91-5
IUPAC Name
3-chloro-3-methyl-3a,4,5,6,7,7a-hexahydro-1-benzofuran-2-one
InChI Key
CBIKLWCRTLLKFI-UHFFFAOYSA-N
Boiling Point
310.2ºC at 760mmHg
Flash Point
159.2ºC
Density
1.2g/cm³
Exact Mass
188.06000
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of 3-Chlorohexahydro-3-methyl-3H-benzofuran-2-one?
The molecular formula of 3-Chlorohexahydro-3-methyl-3H-benzofuran-2-one is C9H13ClO2.
When was 3-Chlorohexahydro-3-methyl-3H-benzofuran-2-one created and modified in PubChem?
It was created on August 20, 2009, and last modified on December 30, 2023.
What is the IUPAC name for 3-Chlorohexahydro-3-methyl-3H-benzofuran-2-one?
The IUPAC name is 3-chloro-3-methyl-3a,4,5,6,7,7a-hexahydro-1-benzofuran-2-one.
What is the InChIKey for 3-Chlorohexahydro-3-methyl-3H-benzofuran-2-one?
The InChIKey is CBIKLWCRTLLKFI-UHFFFAOYSA-N.
How many hydrogen bond acceptors does 3-Chlorohexahydro-3-methyl-3H-benzofuran-2-one have?
It has 2 hydrogen bond acceptors.
What is the molecular weight of 3-Chlorohexahydro-3-methyl-3H-benzofuran-2-one?
The molecular weight is 188.65 g/mol.
Does 3-Chlorohexahydro-3-methyl-3H-benzofuran-2-one have any rotatable bonds?
It has 0 rotatable bonds.
What is the topological polar surface area of 3-Chlorohexahydro-3-methyl-3H-benzofuran-2-one?
The topological polar surface area is 26.3 Ų.
How many defined atom stereocenters does 3-Chlorohexahydro-3-methyl-3H-benzofuran-2-one have?
It has 0 defined atom stereocenters.
Is 3-Chlorohexahydro-3-methyl-3H-benzofuran-2-one canonicalized in PubChem?
Yes, the compound is canonicalized in PubChem.
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