AB57171
1117-86-8 | 1,2-Octanediol
Manufacturer: A2B Chem
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CatalogNumber
AB57171
ChemicalName
1,2-Octanediol
CasNumber
1117-86-8
MolecularFormula
C8H18O2
MolecularWeight
146.2273
MdlNumber
MFCD00010738
Smiles
CCCCCCC(CO)O
NscNumber
71546
Complexity
64.3
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
2
RotatableBondCount
6
UndefinedAtomStereocenterCount
1
Xlogp3
1.8
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CatalogNumber: AB57171
ChemicalName: 1,2-Octanediol
CasNumber: 1117-86-8
MolecularFormula: C8H18O2
MolecularWeight: 146.2273
MdlNumber: MFCD00010738
Smiles: CCCCCCC(CO)O
NscNumber: 71546
Complexity: 64.3
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: 6
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.8
CatalogNumber:
AB57171
ChemicalName:
1,2-Octanediol
CasNumber:
1117-86-8
MolecularFormula:
C8H18O2
MolecularWeight:
146.2273
MdlNumber:
MFCD00010738
Smiles:
CCCCCCC(CO)O
NscNumber:
71546
Complexity:
64.3
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
6
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.8
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Smiles: CCC=C=C
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RotatableBondCount: __
UndefinedAtomStereocenterCount: __
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Smiles:
CCC=C=C
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: ClP1Oc2c(O1)cccc2
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Smiles:
ClP1Oc2c(O1)cccc2
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
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Xlogp3:
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Smiles: OS(=O)(=O)O.Nc1ccccc1N
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OS(=O)(=O)O.Nc1ccccc1N
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__