AA83717
162096-54-0 | 2-(4-(Cyclopropanecarbonyl)phenyl)-2-methylpropanoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA83717
ChemicalName
2-(4-(Cyclopropanecarbonyl)phenyl)-2-methylpropanoic acid
CasNumber
162096-54-0
MolecularFormula
C14H16O3
MolecularWeight
232.275
MdlNumber
MFCD09031253
Smiles
O=C(c1ccc(cc1)C(C(=O)O)(C)C)C1CC1
Complexity
320
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
2.5
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CatalogNumber: AA83717
ChemicalName: 2-(4-(Cyclopropanecarbonyl)phenyl)-2-methylpropanoic acid
CasNumber: 162096-54-0
MolecularFormula: C14H16O3
MolecularWeight: 232.275
MdlNumber: MFCD09031253
Smiles: O=C(c1ccc(cc1)C(C(=O)O)(C)C)C1CC1
Complexity: 320
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 2.5
CatalogNumber:
AA83717
ChemicalName:
2-(4-(Cyclopropanecarbonyl)phenyl)-2-methylpropanoic acid
CasNumber:
162096-54-0
MolecularFormula:
C14H16O3
MolecularWeight:
232.275
MdlNumber:
MFCD09031253
Smiles:
O=C(c1ccc(cc1)C(C(=O)O)(C)C)C1CC1
Complexity:
320
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
2.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: O=C1C(=Cc2ccc(cc2)F)C(=O)c2c1cccc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
O=C1C(=Cc2ccc(cc2)F)C(=O)c2c1cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1cc[nH]n1
Complexity: 104
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 0.1
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
OC(=O)c1cc[nH]n1
Complexity:
104
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
0.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc2c(c1)occ(c2=O)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc2c(c1)occ(c2=O)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__