AF57726
40534-33-6 | 1-(1-Methylpyrazol-4-yl)ethanol
Manufacturer: A2B Chem
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CatalogNumber
AF57726
ChemicalName
1-(1-Methylpyrazol-4-yl)ethanol
CasNumber
40534-33-6
MolecularFormula
C6H10N2O
MolecularWeight
126.1564
MdlNumber
MFCD08700894
Smiles
Cn1ncc(c1)C(O)C
Complexity
97.1
Covalently-bondedUnitCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
1
UndefinedAtomStereocenterCount
1
Xlogp3
-0.3
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CatalogNumber: AF57726
ChemicalName: 1-(1-Methylpyrazol-4-yl)ethanol
CasNumber: 40534-33-6
MolecularFormula: C6H10N2O
MolecularWeight: 126.1564
MdlNumber: MFCD08700894
Smiles: Cn1ncc(c1)C(O)C
Complexity: 97.1
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 1
UndefinedAtomStereocenterCount: 1
Xlogp3: -0.3
CatalogNumber:
AF57726
ChemicalName:
1-(1-Methylpyrazol-4-yl)ethanol
CasNumber:
40534-33-6
MolecularFormula:
C6H10N2O
MolecularWeight:
126.1564
MdlNumber:
MFCD08700894
Smiles:
Cn1ncc(c1)C(O)C
Complexity:
97.1
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
1
Xlogp3:
-0.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Ic1ccc2c(c1)c(Cl)ccn2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Ic1ccc2c(c1)c(Cl)ccn2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AF57728
ChemicalName: 3,4-Dihydro-4-oxoquinazoline-6-carboxylic acid
CasNumber: 33986-75-3
MolecularFormula: C9H6N2O3
MolecularWeight: 190.1555
MdlNumber: MFCD09878505
Smiles: OC(=O)c1ccc2c(c1)c(=O)[nH]cn2
Complexity: 300
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 1
UndefinedAtomStereocenterCount: __
Xlogp3: 0.2
CatalogNumber:
AF57728
ChemicalName:
3,4-Dihydro-4-oxoquinazoline-6-carboxylic acid
CasNumber:
33986-75-3
MolecularFormula:
C9H6N2O3
MolecularWeight:
190.1555
MdlNumber:
MFCD09878505
Smiles:
OC(=O)c1ccc2c(c1)c(=O)[nH]cn2
Complexity:
300
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
__
Xlogp3:
0.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [S-]C#N.[Tl+]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[S-]C#N.[Tl+]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__