AB75464
4928-88-5 | Methyl 1,2,4-triazole-3-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AB75464
ChemicalName
Methyl 1,2,4-triazole-3-carboxylate
CasNumber
4928-88-5
MolecularFormula
C4H5N3O2
MolecularWeight
127.1014
MdlNumber
MFCD00135989
Smiles
COC(=O)c1n[nH]cn1
Complexity
116
Covalently-bondedUnitCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
0.2
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CatalogNumber: AB75464
ChemicalName: Methyl 1,2,4-triazole-3-carboxylate
CasNumber: 4928-88-5
MolecularFormula: C4H5N3O2
MolecularWeight: 127.1014
MdlNumber: MFCD00135989
Smiles: COC(=O)c1n[nH]cn1
Complexity: 116
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 0.2
CatalogNumber:
AB75464
ChemicalName:
Methyl 1,2,4-triazole-3-carboxylate
CasNumber:
4928-88-5
MolecularFormula:
C4H5N3O2
MolecularWeight:
127.1014
MdlNumber:
MFCD00135989
Smiles:
COC(=O)c1n[nH]cn1
Complexity:
116
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
0.2
CatalogNumber: AB75465
ChemicalName: Methyl 1,3-benzodioxole-4-carboxylate
CasNumber: 33842-16-9
MolecularFormula: C9H8O4
MolecularWeight: 180.1574
MdlNumber: MFCD01546796
Smiles: COC(=O)c1cccc2c1OCO2
Complexity: 204
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 1.6
CatalogNumber:
AB75465
ChemicalName:
Methyl 1,3-benzodioxole-4-carboxylate
CasNumber:
33842-16-9
MolecularFormula:
C9H8O4
MolecularWeight:
180.1574
MdlNumber:
MFCD01546796
Smiles:
COC(=O)c1cccc2c1OCO2
Complexity:
204
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
1.6
CatalogNumber: AB75466
ChemicalName: 1,4-Di-tert-butyl 2-methyl piperazine-1,2,4-tricarboxylate
CasNumber: 171504-98-6
MolecularFormula: C16H28N2O6
MolecularWeight: 344.4033
MdlNumber: MFCD16621219
Smiles: COC(=O)C1CN(CCN1C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
Complexity: 492
Covalently-bondedUnitCount: 1
HeavyAtomCount: 24
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: __
RotatableBondCount: 6
Xlogp3: 1.7
CatalogNumber:
AB75466
ChemicalName:
1,4-Di-tert-butyl 2-methyl piperazine-1,2,4-tricarboxylate
CasNumber:
171504-98-6
MolecularFormula:
C16H28N2O6
MolecularWeight:
344.4033
MdlNumber:
MFCD16621219
Smiles:
COC(=O)C1CN(CCN1C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
Complexity:
492
Covalently-bondedUnitCount:
1
HeavyAtomCount:
24
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
__
RotatableBondCount:
6
Xlogp3:
1.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCCCCCCCCCC#CC#CCCCCCCCCC(=O)OC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCCCCCCCCCC#CC#CCCCCCCCCC(=O)OC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__