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Compound
2,2-Dimethyl-3-propan-2-ylidenecyclobutane-1-carboxylic acid
HCID
72765404
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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
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Related reactions
1 records
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HRID
2145878
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Compound notes
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