AB34839
28711-29-7 | 1,2,4-Triazole-1-acetic acid
Manufacturer: A2B Chem
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CatalogNumber
AB34839
ChemicalName
1,2,4-Triazole-1-acetic acid
CasNumber
28711-29-7
MolecularFormula
C4H5N3O2
MolecularWeight
127.1014
MdlNumber
MFCD00036051
Smiles
OC(=O)Cn1cncn1
Complexity
116
Covalently-bondedUnitCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
-0.3
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CatalogNumber: AB34839
ChemicalName: 1,2,4-Triazole-1-acetic acid
CasNumber: 28711-29-7
MolecularFormula: C4H5N3O2
MolecularWeight: 127.1014
MdlNumber: MFCD00036051
Smiles: OC(=O)Cn1cncn1
Complexity: 116
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: -0.3
CatalogNumber:
AB34839
ChemicalName:
1,2,4-Triazole-1-acetic acid
CasNumber:
28711-29-7
MolecularFormula:
C4H5N3O2
MolecularWeight:
127.1014
MdlNumber:
MFCD00036051
Smiles:
OC(=O)Cn1cncn1
Complexity:
116
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
-0.3
CatalogNumber: AB34843
ChemicalName: 5-Amino-2-phenyl-1,2-dihydropyrazol-3-one
CasNumber: 28710-97-6
MolecularFormula: C9H9N3O
MolecularWeight: 175.1873
MdlNumber: MFCD00236014
Smiles: Nc1[nH]n(c(=O)c1)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
AB34843
ChemicalName:
5-Amino-2-phenyl-1,2-dihydropyrazol-3-one
CasNumber:
28710-97-6
MolecularFormula:
C9H9N3O
MolecularWeight:
175.1873
MdlNumber:
MFCD00236014
Smiles:
Nc1[nH]n(c(=O)c1)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCC[C@H]1CN([C@@H](C1)C(=O)N[C@@H]([C@H]1O[C@H](SC)[C@@H]([C@H]([C@H]1O)OP(=O)(O)O)O)[C@@H](Cl)C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCC[C@H]1CN([C@@H](C1)C(=O)N[C@@H]([C@H]1O[C@H](SC)[C@@H]([C@H]([C@H]1O)OP(=O)(O)O)O)[C@@H](Cl)C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(=O)OC[C@H]1OC([C@@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C
Complexity: 458
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 0.7
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=O)OC[C@H]1OC([C@@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C
Complexity:
458
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
0.7