AF68184
4029-26-9 | 2,2-Dimethyl-4-oxocyclohexanecarboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AF68184
ChemicalName
2,2-Dimethyl-4-oxocyclohexanecarboxylic acid
CasNumber
4029-26-9
MolecularFormula
C9H14O3
MolecularWeight
170.20566
MdlNumber
MFCD06205273
Smiles
O=C1CCC(C(C1)(C)C)C(=O)O
Complexity
218
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
UndefinedAtomStereocenterCount
1
Xlogp3
0.8
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CatalogNumber: AF68184
ChemicalName: 2,2-Dimethyl-4-oxocyclohexanecarboxylic acid
CasNumber: 4029-26-9
MolecularFormula: C9H14O3
MolecularWeight: 170.20566
MdlNumber: MFCD06205273
Smiles: O=C1CCC(C(C1)(C)C)C(=O)O
Complexity: 218
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
UndefinedAtomStereocenterCount: 1
Xlogp3: 0.8
CatalogNumber:
AF68184
ChemicalName:
2,2-Dimethyl-4-oxocyclohexanecarboxylic acid
CasNumber:
4029-26-9
MolecularFormula:
C9H14O3
MolecularWeight:
170.20566
MdlNumber:
MFCD06205273
Smiles:
O=C1CCC(C(C1)(C)C)C(=O)O
Complexity:
218
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
1
Xlogp3:
0.8
CatalogNumber: AF68185
ChemicalName: 2-(Bromomethyl)-2,3-dihydro-1h-indene
CasNumber: 348080-87-5
MolecularFormula: C10H11Br
MolecularWeight: 211.0983
MdlNumber: MFCD11617163
Smiles: BrCC1Cc2c(C1)cccc2
Complexity: 119
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: 1
UndefinedAtomStereocenterCount: __
Xlogp3: 3.2
CatalogNumber:
AF68185
ChemicalName:
2-(Bromomethyl)-2,3-dihydro-1h-indene
CasNumber:
348080-87-5
MolecularFormula:
C10H11Br
MolecularWeight:
211.0983
MdlNumber:
MFCD11617163
Smiles:
BrCC1Cc2c(C1)cccc2
Complexity:
119
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
__
Xlogp3:
3.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc(c(c1)CBr)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc(c(c1)CBr)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=Cc1cccc2c1cc([nH]2)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=Cc1cccc2c1cc([nH]2)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__