AG67127
63874-95-3 | 1-Benzyl-1H-pyrazole-4-carboxaldehyde
Manufacturer: A2B Chem
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CatalogNumber
AG67127
ChemicalName
1-Benzyl-1H-pyrazole-4-carboxaldehyde
CasNumber
63874-95-3
MolecularFormula
C11H10N2O
MolecularWeight
186.2099
MdlNumber
MFCD02179567
Smiles
O=Cc1cnn(c1)Cc1ccccc1
Complexity
190
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
2
RotatableBondCount
3
Xlogp3
1.3
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CatalogNumber: AG67127
ChemicalName: 1-Benzyl-1H-pyrazole-4-carboxaldehyde
CasNumber: 63874-95-3
MolecularFormula: C11H10N2O
MolecularWeight: 186.2099
MdlNumber: MFCD02179567
Smiles: O=Cc1cnn(c1)Cc1ccccc1
Complexity: 190
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 2
RotatableBondCount: 3
Xlogp3: 1.3
CatalogNumber:
AG67127
ChemicalName:
1-Benzyl-1H-pyrazole-4-carboxaldehyde
CasNumber:
63874-95-3
MolecularFormula:
C11H10N2O
MolecularWeight:
186.2099
MdlNumber:
MFCD02179567
Smiles:
O=Cc1cnn(c1)Cc1ccccc1
Complexity:
190
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
2
RotatableBondCount:
3
Xlogp3:
1.3
CatalogNumber: AG67128
ChemicalName: Methyl 3-(3-hydroxyphenyl)propionate
CasNumber: 61389-68-2
MolecularFormula: C10H12O3
MolecularWeight: 180.2005
MdlNumber: MFCD03788460
Smiles: COC(=O)CCc1cccc(c1)O
Complexity: 168
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
RotatableBondCount: 4
Xlogp3: 1.7
CatalogNumber:
AG67128
ChemicalName:
Methyl 3-(3-hydroxyphenyl)propionate
CasNumber:
61389-68-2
MolecularFormula:
C10H12O3
MolecularWeight:
180.2005
MdlNumber:
MFCD03788460
Smiles:
COC(=O)CCc1cccc(c1)O
Complexity:
168
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
RotatableBondCount:
4
Xlogp3:
1.7
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Smiles: OC(=O)CN1C(=S)SC(=CC=C2SCCN2C)C1=O
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Smiles:
OC(=O)CN1C(=S)SC(=CC=C2SCCN2C)C1=O
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HydrogenBondAcceptorCount:
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Smiles: OCc1ccncc1NC(=O)C(C)(C)C
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Smiles:
OCc1ccncc1NC(=O)C(C)(C)C
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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