AB52869
581083-30-9 | 6,6-Dimethyl-4,5,6,7-tetrahydro-1h-indazole-3-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB52869
ChemicalName
6,6-Dimethyl-4,5,6,7-tetrahydro-1h-indazole-3-carboxylic acid
CasNumber
581083-30-9
MolecularFormula
C10H14N2O2
MolecularWeight
194.2304
MdlNumber
MFCD16250075
Smiles
OC(=O)c1n[nH]c2c1CCC(C2)(C)C
Complexity
253
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
1
Xlogp3
2.1
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CatalogNumber: AB52869
ChemicalName: 6,6-Dimethyl-4,5,6,7-tetrahydro-1h-indazole-3-carboxylic acid
CasNumber: 581083-30-9
MolecularFormula: C10H14N2O2
MolecularWeight: 194.2304
MdlNumber: MFCD16250075
Smiles: OC(=O)c1n[nH]c2c1CCC(C2)(C)C
Complexity: 253
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 2.1
CatalogNumber:
AB52869
ChemicalName:
6,6-Dimethyl-4,5,6,7-tetrahydro-1h-indazole-3-carboxylic acid
CasNumber:
581083-30-9
MolecularFormula:
C10H14N2O2
MolecularWeight:
194.2304
MdlNumber:
MFCD16250075
Smiles:
OC(=O)c1n[nH]c2c1CCC(C2)(C)C
Complexity:
253
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NC(C(=O)O)CON.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NC(C(=O)O)CON.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc(cc1)[C@H](O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc(cc1)[C@H](O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB52872
ChemicalName: 6-Methyl-piperazin-2-one
CasNumber: 59701-83-6
MolecularFormula: C5H10N2O
MolecularWeight: 114.1457
MdlNumber: MFCD07373516
Smiles: CC1CNCC(=O)N1
Complexity: 103
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: __
Xlogp3: -0.7
CatalogNumber:
AB52872
ChemicalName:
6-Methyl-piperazin-2-one
CasNumber:
59701-83-6
MolecularFormula:
C5H10N2O
MolecularWeight:
114.1457
MdlNumber:
MFCD07373516
Smiles:
CC1CNCC(=O)N1
Complexity:
103
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
__
Xlogp3:
-0.7