AB43151
5744-56-9 | 1,3-Dimethyl-1h-pyrazole-5-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB43151
ChemicalName
1,3-Dimethyl-1h-pyrazole-5-carboxylic acid
CasNumber
5744-56-9
MolecularFormula
C6H8N2O2
MolecularWeight
140.1399
MdlNumber
MFCD00159636
Smiles
Cn1nc(cc1C(=O)O)C
Complexity
149
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
0.5
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CatalogNumber: AB43151
ChemicalName: 1,3-Dimethyl-1h-pyrazole-5-carboxylic acid
CasNumber: 5744-56-9
MolecularFormula: C6H8N2O2
MolecularWeight: 140.1399
MdlNumber: MFCD00159636
Smiles: Cn1nc(cc1C(=O)O)C
Complexity: 149
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 0.5
CatalogNumber:
AB43151
ChemicalName:
1,3-Dimethyl-1h-pyrazole-5-carboxylic acid
CasNumber:
5744-56-9
MolecularFormula:
C6H8N2O2
MolecularWeight:
140.1399
MdlNumber:
MFCD00159636
Smiles:
Cn1nc(cc1C(=O)O)C
Complexity:
149
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
0.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1N(C)CCCN1C
Complexity: 112
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: -0.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1N(C)CCCN1C
Complexity:
112
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
-0.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCCCCCCC(CCO)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCCCCCCC(CCO)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB43154
ChemicalName: 1,3-Indanedione
CasNumber: 606-23-5
MolecularFormula: C9H6O2
MolecularWeight: 146.1427
MdlNumber: MFCD00003779
Smiles: O=C1CC(=O)c2c1cccc2
Complexity: 186
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 0.6
CatalogNumber:
AB43154
ChemicalName:
1,3-Indanedione
CasNumber:
606-23-5
MolecularFormula:
C9H6O2
MolecularWeight:
146.1427
MdlNumber:
MFCD00003779
Smiles:
O=C1CC(=O)c2c1cccc2
Complexity:
186
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
0.6