AA74222
14916-79-1 | 3-Heptyn-1-ol
Manufacturer: A2B Chem
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CatalogNumber
AA74222
ChemicalName
3-Heptyn-1-ol
CasNumber
14916-79-1
MolecularFormula
C7H12O
MolecularWeight
112.1696
MdlNumber
MFCD00039551
Smiles
CCCC#CCCO
Complexity
93.4
Covalently-bondedUnitCount
1
HeavyAtomCount
8
HydrogenBondAcceptorCount
1
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.6
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CatalogNumber: AA74222
ChemicalName: 3-Heptyn-1-ol
CasNumber: 14916-79-1
MolecularFormula: C7H12O
MolecularWeight: 112.1696
MdlNumber: MFCD00039551
Smiles: CCCC#CCCO
Complexity: 93.4
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.6
CatalogNumber:
AA74222
ChemicalName:
3-Heptyn-1-ol
CasNumber:
14916-79-1
MolecularFormula:
C7H12O
MolecularWeight:
112.1696
MdlNumber:
MFCD00039551
Smiles:
CCCC#CCCO
Complexity:
93.4
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC1CCN[C@@H]1C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC1CCN[C@@H]1C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA74226
ChemicalName: 5-Amino-2-nitropyridine
CasNumber: 14916-65-5
MolecularFormula: C5H5N3O2
MolecularWeight: 139.1121
MdlNumber: MFCD01646117
Smiles: Nc1ccc(nc1)[N+](=O)[O-]
Complexity: 133
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 0.3
CatalogNumber:
AA74226
ChemicalName:
5-Amino-2-nitropyridine
CasNumber:
14916-65-5
MolecularFormula:
C5H5N3O2
MolecularWeight:
139.1121
MdlNumber:
MFCD01646117
Smiles:
Nc1ccc(nc1)[N+](=O)[O-]
Complexity:
133
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
0.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-][N+](=O)c1cc(N)ccn1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-][N+](=O)c1cc(N)ccn1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__