CAS
97403-87-7 Purity
96%
97403-87-7 Purity
96%
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1-Bicyclo[2.2.1]hept-5-en-2-yl-4-hydroxybutan-2-one
CAS
97403-92-4
Catalog Number
ACM97403924
Category
Other Products
Molecular Weight
180.243540 [g/mol]
Molecular Formula
C11H16O2
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Specification
Synonyms
EINECS 306-755-5, 1-Bicyclo(2.2.1)hept-5-en-2-yl-4-hydroxybutan-2-one, 97403-92-4
IUPAC Name
1-(5-bicyclo[2.2.1]hept-2-enyl)-4-hydroxybutan-2-one
Canonical SMILES
C1C2CC(C1C=C2)CC(=O)CCO
InChI Key
IOURLUJNIODGHH-UHFFFAOYSA-N
Boiling Point
309.2ºC at 760mmHg
Flash Point
130.8ºC
Density
1.1g/cm³
EC Number
306-755-5
Exact Mass
180.11500
H-Bond Acceptor
2
H-Bond Donor
1
What is the molecular formula of the compound in PubChem CID 44150704?
The molecular formula is C11H16O2.
What is the molecular weight of the compound?
The molecular weight is 180.24 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is 1-(2-bicyclo[2.2.1]hept-5-enyl)-4-hydroxybutan-2-one.
What is the InChIKey of the compound?
The InChIKey is IOURLUJNIODGHH-UHFFFAOYSA-N.
How many hydrogen bond donor counts does the compound have?
The compound has 1 hydrogen bond donor count.
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 37.3 Å^2.
How many rotatable bond counts does the compound have?
The compound has 4 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
When was the compound last modified in PubChem?
The compound was last modified on 2023-12-30.
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97403-89-9 Purity
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96%
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