AA94730
17587-08-5 | 2-(2H-Tetrazol-5-yl)-ethanol
Manufacturer: A2B Chem
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CatalogNumber
AA94730
ChemicalName
2-(2H-Tetrazol-5-yl)-ethanol
CasNumber
17587-08-5
MolecularFormula
C3H6N4O
MolecularWeight
114.1059
MdlNumber
MFCD03856019
Smiles
OCCc1n[nH]nn1
NscNumber
141936
Complexity
68.3
Covalently-bondedUnitCount
1
HeavyAtomCount
8
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
-0.9
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CatalogNumber: AA94730
ChemicalName: 2-(2H-Tetrazol-5-yl)-ethanol
CasNumber: 17587-08-5
MolecularFormula: C3H6N4O
MolecularWeight: 114.1059
MdlNumber: MFCD03856019
Smiles: OCCc1n[nH]nn1
NscNumber: 141936
Complexity: 68.3
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: -0.9
CatalogNumber:
AA94730
ChemicalName:
2-(2H-Tetrazol-5-yl)-ethanol
CasNumber:
17587-08-5
MolecularFormula:
C3H6N4O
MolecularWeight:
114.1059
MdlNumber:
MFCD03856019
Smiles:
OCCc1n[nH]nn1
NscNumber:
141936
Complexity:
68.3
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
-0.9
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
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Smiles: CCCCCCCC[Sn](OC(=O)C)(OC(=O)C)CCCCCCCC
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
CCCCCCCC[Sn](OC(=O)C)(OC(=O)C)CCCCCCCC
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RotatableBondCount:
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Smiles: [O-][N+](=O)c1cc(ccc1c1nc2c(s1)cccc2)[N+](=O)[O-]
NscNumber: __
Complexity: __
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MolecularFormula:
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MolecularWeight:
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Smiles:
[O-][N+](=O)c1cc(ccc1c1nc2c(s1)cccc2)[N+](=O)[O-]
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Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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MolecularFormula: __
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Smiles: N[C@H](C(=O)O)Cc1ccccc1.Cl
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
N[C@H](C(=O)O)Cc1ccccc1.Cl
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__