AB57801
828-51-3 | 1-Adamantanecarboxylic acid
Manufacturer: A2B Chem
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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
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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
CatalogNumber: AB57802
ChemicalName: 1-Adamantaneethanol
CasNumber: 6240-11-5
MolecularFormula: C12H20O
MolecularWeight: 180.2866
MdlNumber: MFCD00074756
Smiles: OCCC12CC3CC(C2)CC(C1)C3
NscNumber: __
Complexity: 168
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 3.4
CatalogNumber:
AB57802
ChemicalName:
1-Adamantaneethanol
CasNumber:
6240-11-5
MolecularFormula:
C12H20O
MolecularWeight:
180.2866
MdlNumber:
MFCD00074756
Smiles:
OCCC12CC3CC(C2)CC(C1)C3
NscNumber:
__
Complexity:
168
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
3.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: SC12CC3CC(C2)CC(C1)C3
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
SC12CC3CC(C2)CC(C1)C3
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB57804
ChemicalName: 1-Adamantanol
CasNumber: 768-95-6
MolecularFormula: C10H16O
MolecularWeight: 152.2334
MdlNumber: MFCD00074729
Smiles: OC12CC3CC(C2)CC(C1)C3
NscNumber: __
Complexity: 144
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 2.1
CatalogNumber:
AB57804
ChemicalName:
1-Adamantanol
CasNumber:
768-95-6
MolecularFormula:
C10H16O
MolecularWeight:
152.2334
MdlNumber:
MFCD00074729
Smiles:
OC12CC3CC(C2)CC(C1)C3
NscNumber:
__
Complexity:
144
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
2.1