AB45317
928-90-5 | 5-Hexyn-1-ol
Manufacturer: A2B Chem
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CatalogNumber
AB45317
ChemicalName
5-Hexyn-1-ol
CasNumber
928-90-5
MolecularFormula
C6H10O
MolecularWeight
98.143
MdlNumber
MFCD00002980
Smiles
OCCCCC#C
Complexity
67.5
Covalently-bondedUnitCount
1
HeavyAtomCount
7
HydrogenBondAcceptorCount
1
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
0.8
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CatalogNumber: AB45317
ChemicalName: 5-Hexyn-1-ol
CasNumber: 928-90-5
MolecularFormula: C6H10O
MolecularWeight: 98.143
MdlNumber: MFCD00002980
Smiles: OCCCCC#C
Complexity: 67.5
Covalently-bondedUnitCount: 1
HeavyAtomCount: 7
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 0.8
CatalogNumber:
AB45317
ChemicalName:
5-Hexyn-1-ol
CasNumber:
928-90-5
MolecularFormula:
C6H10O
MolecularWeight:
98.143
MdlNumber:
MFCD00002980
Smiles:
OCCCCC#C
Complexity:
67.5
Covalently-bondedUnitCount:
1
HeavyAtomCount:
7
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
0.8
CatalogNumber: AB45318
ChemicalName: 5-Hexynoic acid
CasNumber: 53293-00-8
MolecularFormula: C6H8O2
MolecularWeight: 112.1265
MdlNumber: MFCD00066346
Smiles: C#CCCCC(=O)O
Complexity: 118
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 0.7
CatalogNumber:
AB45318
ChemicalName:
5-Hexynoic acid
CasNumber:
53293-00-8
MolecularFormula:
C6H8O2
MolecularWeight:
112.1265
MdlNumber:
MFCD00066346
Smiles:
C#CCCCC(=O)O
Complexity:
118
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
0.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1C=CC(=O)c2c1c(O)ccc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1C=CC(=O)c2c1c(O)ccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB45320
ChemicalName: 5-Hydroxy-2-nitrobenzoic acid
CasNumber: 610-37-7
MolecularFormula: C7H5NO5
MolecularWeight: 183.1183
MdlNumber: MFCD00017566
Smiles: Oc1ccc(c(c1)C(=O)O)[N+](=O)[O-]
Complexity: 223
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 1.1
CatalogNumber:
AB45320
ChemicalName:
5-Hydroxy-2-nitrobenzoic acid
CasNumber:
610-37-7
MolecularFormula:
C7H5NO5
MolecularWeight:
183.1183
MdlNumber:
MFCD00017566
Smiles:
Oc1ccc(c(c1)C(=O)O)[N+](=O)[O-]
Complexity:
223
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
1.1