AI55683
73500-16-0 | Dimethyl 1-benzyl-1h-1,2,3-triazole-4,5-dicarboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI55683
ChemicalName
Dimethyl 1-benzyl-1h-1,2,3-triazole-4,5-dicarboxylate
CasNumber
73500-16-0
MolecularFormula
C13H13N3O4
MolecularWeight
275.26
MdlNumber
MFCD02956305
Smiles
COC(=O)c1n(nnc1C(=O)OC)Cc1ccccc1
Complexity
358
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
6
RotatableBondCount
6
Xlogp3
1.7
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CatalogNumber: AI55683
ChemicalName: Dimethyl 1-benzyl-1h-1,2,3-triazole-4,5-dicarboxylate
CasNumber: 73500-16-0
MolecularFormula: C13H13N3O4
MolecularWeight: 275.26
MdlNumber: MFCD02956305
Smiles: COC(=O)c1n(nnc1C(=O)OC)Cc1ccccc1
Complexity: 358
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 6
RotatableBondCount: 6
Xlogp3: 1.7
CatalogNumber:
AI55683
ChemicalName:
Dimethyl 1-benzyl-1h-1,2,3-triazole-4,5-dicarboxylate
CasNumber:
73500-16-0
MolecularFormula:
C13H13N3O4
MolecularWeight:
275.26
MdlNumber:
MFCD02956305
Smiles:
COC(=O)c1n(nnc1C(=O)OC)Cc1ccccc1
Complexity:
358
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
6
RotatableBondCount:
6
Xlogp3:
1.7
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Smiles: COc1ccc(c(c1)CO)C
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HydrogenBondAcceptorCount: __
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Smiles:
COc1ccc(c(c1)CO)C
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RotatableBondCount:
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Smiles: OCc1cn(cc1CO)C
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Smiles:
OCc1cn(cc1CO)C
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__
RotatableBondCount:
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Smiles: ClCC(=O)c1cc(n(c1C)CCC(C)C)C
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Smiles:
ClCC(=O)c1cc(n(c1C)CCC(C)C)C
Complexity:
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Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__