AB68212
34916-10-4 | 4-Oxocyclohexanecarbonitrile
Manufacturer: A2B Chem
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CatalogNumber
AB68212
ChemicalName
4-Oxocyclohexanecarbonitrile
CasNumber
34916-10-4
MolecularFormula
C7H9NO
MolecularWeight
123.1525
MdlNumber
MFCD11847831
Smiles
N#CC1CCC(=O)CC1
Complexity
155
Covalently-bondedUnitCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
2
Xlogp3
0.1
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CatalogNumber: AB68212
ChemicalName: 4-Oxocyclohexanecarbonitrile
CasNumber: 34916-10-4
MolecularFormula: C7H9NO
MolecularWeight: 123.1525
MdlNumber: MFCD11847831
Smiles: N#CC1CCC(=O)CC1
Complexity: 155
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 2
Xlogp3: 0.1
CatalogNumber:
AB68212
ChemicalName:
4-Oxocyclohexanecarbonitrile
CasNumber:
34916-10-4
MolecularFormula:
C7H9NO
MolecularWeight:
123.1525
MdlNumber:
MFCD11847831
Smiles:
N#CC1CCC(=O)CC1
Complexity:
155
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
2
Xlogp3:
0.1
CatalogNumber: AB68213
ChemicalName: 4-Oxocyclohexane-1-carboxylic acid
CasNumber: 874-61-3
MolecularFormula: C7H10O3
MolecularWeight: 142.1525
MdlNumber: MFCD00102035
Smiles: O=C1CCC(CC1)C(=O)O
Complexity: 152
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
Xlogp3: -0.1
CatalogNumber:
AB68213
ChemicalName:
4-Oxocyclohexane-1-carboxylic acid
CasNumber:
874-61-3
MolecularFormula:
C7H10O3
MolecularWeight:
142.1525
MdlNumber:
MFCD00102035
Smiles:
O=C1CCC(CC1)C(=O)O
Complexity:
152
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
Xlogp3:
-0.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
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Smiles: O=C1C([2H])([2H])C(N(C(C1([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])[O])(C([2H])([2H])[2H])C([2H])([2H])[2H]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
Xlogp3: __
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MolecularFormula:
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Smiles:
O=C1C([2H])([2H])C(N(C(C1([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])[O])(C([2H])([2H])[2H])C([2H])([2H])[2H]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
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Smiles: CC(CC=C)O
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
CC(CC=C)O
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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Xlogp3:
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