AI62868
94142-97-9 | 2-(1-Hydroxyethylidene)-5,5-dimethylcyclohexane-1,3-dione
Manufacturer: A2B Chem
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CatalogNumber
AI62868
ChemicalName
2-(1-Hydroxyethylidene)-5,5-dimethylcyclohexane-1,3-dione
CasNumber
94142-97-9
MolecularFormula
C10H14O3
MolecularWeight
182.21635999999995
MdlNumber
MFCD03001669
Smiles
CC(=C1C(=O)CC(CC1=O)(C)C)O
Complexity
297
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1.5
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CatalogNumber: AI62868
ChemicalName: 2-(1-Hydroxyethylidene)-5,5-dimethylcyclohexane-1,3-dione
CasNumber: 94142-97-9
MolecularFormula: C10H14O3
MolecularWeight: 182.21635999999995
MdlNumber: MFCD03001669
Smiles: CC(=C1C(=O)CC(CC1=O)(C)C)O
Complexity: 297
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.5
CatalogNumber:
AI62868
ChemicalName:
2-(1-Hydroxyethylidene)-5,5-dimethylcyclohexane-1,3-dione
CasNumber:
94142-97-9
MolecularFormula:
C10H14O3
MolecularWeight:
182.21635999999995
MdlNumber:
MFCD03001669
Smiles:
CC(=C1C(=O)CC(CC1=O)(C)C)O
Complexity:
297
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.5
CatalogNumber: AI62870
ChemicalName: tert-Butyl 3-mercaptoazetidine-1-carboxylate
CasNumber: 941585-25-7
MolecularFormula: C8H15NO2S
MolecularWeight: 189.2752
MdlNumber: MFCD01861743
Smiles: SC1CN(C1)C(=O)OC(C)(C)C
Complexity: 182
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.2
CatalogNumber:
AI62870
ChemicalName:
tert-Butyl 3-mercaptoazetidine-1-carboxylate
CasNumber:
941585-25-7
MolecularFormula:
C8H15NO2S
MolecularWeight:
189.2752
MdlNumber:
MFCD01861743
Smiles:
SC1CN(C1)C(=O)OC(C)(C)C
Complexity:
182
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.2
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Smiles: N#Cc1cc(Br)cnc1NC(=O)C
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Smiles: CNc1nc(OC)ccc1[N+](=O)[O-]
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