AB57799
4942-47-6 | 1-Adamantaneacetic acid
Manufacturer: A2B Chem
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CatalogNumber
AB57799
ChemicalName
1-Adamantaneacetic acid
CasNumber
4942-47-6
MolecularFormula
C12H18O2
MolecularWeight
194.2701200000001
MdlNumber
MFCD00074728
Smiles
OC(=O)CC12CC3CC(C2)CC(C1)C3
NscNumber
310162
Complexity
228
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
3.2
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CatalogNumber: AB57799
ChemicalName: 1-Adamantaneacetic acid
CasNumber: 4942-47-6
MolecularFormula: C12H18O2
MolecularWeight: 194.2701200000001
MdlNumber: MFCD00074728
Smiles: OC(=O)CC12CC3CC(C2)CC(C1)C3
NscNumber: 310162
Complexity: 228
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 3.2
CatalogNumber:
AB57799
ChemicalName:
1-Adamantaneacetic acid
CasNumber:
4942-47-6
MolecularFormula:
C12H18O2
MolecularWeight:
194.2701200000001
MdlNumber:
MFCD00074728
Smiles:
OC(=O)CC12CC3CC(C2)CC(C1)C3
NscNumber:
310162
Complexity:
228
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
3.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: __
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
__
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NC(=O)C12CC3CC(C2)CC(C1)C3
NscNumber: __
Complexity: 218
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NC(=O)C12CC3CC(C2)CC(C1)C3
NscNumber:
__
Complexity:
218
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2
CatalogNumber: AB57801
ChemicalName: 1-Adamantanecarboxylic acid
CasNumber: 828-51-3
MolecularFormula: C11H16O2
MolecularWeight: 180.24354000000002
MdlNumber: MFCD00074720
Smiles: OC(=O)C12CC3CC(C2)CC(C1)C3
NscNumber: 94182
Complexity: 216
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.6
CatalogNumber:
AB57801
ChemicalName:
1-Adamantanecarboxylic acid
CasNumber:
828-51-3
MolecularFormula:
C11H16O2
MolecularWeight:
180.24354000000002
MdlNumber:
MFCD00074720
Smiles:
OC(=O)C12CC3CC(C2)CC(C1)C3
NscNumber:
94182
Complexity:
216
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.6