AD68532
16681-71-3 | 1-Methyl-1h-1,2,3-triazole-4-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AD68532
ChemicalName
1-Methyl-1h-1,2,3-triazole-4-carboxylic acid
CasNumber
16681-71-3
MolecularFormula
C4H5N3O2
MolecularWeight
127.1014
MdlNumber
MFCD08689473
Smiles
Cn1cc(nn1)C(=O)O
Complexity
127
Covalently-bondedUnitCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
-0.5
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CatalogNumber: AD68532
ChemicalName: 1-Methyl-1h-1,2,3-triazole-4-carboxylic acid
CasNumber: 16681-71-3
MolecularFormula: C4H5N3O2
MolecularWeight: 127.1014
MdlNumber: MFCD08689473
Smiles: Cn1cc(nn1)C(=O)O
Complexity: 127
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: -0.5
CatalogNumber:
AD68532
ChemicalName:
1-Methyl-1h-1,2,3-triazole-4-carboxylic acid
CasNumber:
16681-71-3
MolecularFormula:
C4H5N3O2
MolecularWeight:
127.1014
MdlNumber:
MFCD08689473
Smiles:
Cn1cc(nn1)C(=O)O
Complexity:
127
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
-0.5
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MolecularFormula: __
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Smiles: O=Cc1c[nH]nn1
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
O=Cc1c[nH]nn1
Complexity:
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RotatableBondCount:
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Smiles: CC(=O)c1c2OCCOc2c(c(c1Cl)Cl)[N+](=O)[O-]
Complexity: __
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Smiles:
CC(=O)c1c2OCCOc2c(c(c1Cl)Cl)[N+](=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: COc1cc(N)c(cc1C(=O)C)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
COc1cc(N)c(cc1C(=O)C)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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