AB50106
1088994-22-2 | 5-Methyl-2-(pyrimidin-2-yl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB50106
ChemicalName
5-Methyl-2-(pyrimidin-2-yl)benzoic acid
CasNumber
1088994-22-2
MolecularFormula
C12H10N2O2
MolecularWeight
214.22
MdlNumber
MFCD14706695
Smiles
Cc1ccc(c(c1)C(=O)O)c1ncccn1
Complexity
251
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.8
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CatalogNumber: AB50106
ChemicalName: 5-Methyl-2-(pyrimidin-2-yl)benzoic acid
CasNumber: 1088994-22-2
MolecularFormula: C12H10N2O2
MolecularWeight: 214.22
MdlNumber: MFCD14706695
Smiles: Cc1ccc(c(c1)C(=O)O)c1ncccn1
Complexity: 251
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.8
CatalogNumber:
AB50106
ChemicalName:
5-Methyl-2-(pyrimidin-2-yl)benzoic acid
CasNumber:
1088994-22-2
MolecularFormula:
C12H10N2O2
MolecularWeight:
214.22
MdlNumber:
MFCD14706695
Smiles:
Cc1ccc(c(c1)C(=O)O)c1ncccn1
Complexity:
251
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NC1CN(C1)C(=O)OCc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NC1CN(C1)C(=O)OCc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB50109
ChemicalName: 1-Methyl-3-oxopiperazine
CasNumber: 34770-60-0
MolecularFormula: C5H10N2O
MolecularWeight: 114.1457
MdlNumber: MFCD11870124
Smiles: CN1CCNC(=O)C1
Complexity: 103
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: -0.6
CatalogNumber:
AB50109
ChemicalName:
1-Methyl-3-oxopiperazine
CasNumber:
34770-60-0
MolecularFormula:
C5H10N2O
MolecularWeight:
114.1457
MdlNumber:
MFCD11870124
Smiles:
CN1CCNC(=O)C1
Complexity:
103
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
-0.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__