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2,2-Dimethyl-3-propan-2-ylidenecyclobutane-1-carboxylic acid

HCID 72765404
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CC(C)=C1CC(C(=O)O)C1(C)C
InChIKey
DFHLXFYDHNRKNF-UHFFFAOYSA-N
Molecular formula
C10H16O2
Average molar mass
168.23 g/mol
Monoisotopic mass
168.11502975

Names & identifiers

Preferred name
2,2-Dimethyl-3-propan-2-ylidenecyclobutane-1-carboxylic acid
IUPAC
2,2-dimethyl-3-propan-2-ylidenecyclobutane-1-carboxylic acid

Database identifiers

PubChem CID
72765404

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
37.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
12
Formal charge
0
Complexity
245

Related reactions

1 records
New reaction record
HRID 2145878 reaction equation
HRID 2145878As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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