AB44491
539-32-2 | 3-Butylpyridine
Manufacturer: A2B Chem
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CatalogNumber
AB44491
ChemicalName
3-Butylpyridine
CasNumber
539-32-2
MolecularFormula
C9H13N
MolecularWeight
135.2062
MdlNumber
MFCD00010709
Smiles
CCCCc1cccnc1
Complexity
80.8
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
1
RotatableBondCount
3
Xlogp3
2.5
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CatalogNumber: AB44491
ChemicalName: 3-Butylpyridine
CasNumber: 539-32-2
MolecularFormula: C9H13N
MolecularWeight: 135.2062
MdlNumber: MFCD00010709
Smiles: CCCCc1cccnc1
Complexity: 80.8
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 1
RotatableBondCount: 3
Xlogp3: 2.5
CatalogNumber:
AB44491
ChemicalName:
3-Butylpyridine
CasNumber:
539-32-2
MolecularFormula:
C9H13N
MolecularWeight:
135.2062
MdlNumber:
MFCD00010709
Smiles:
CCCCc1cccnc1
Complexity:
80.8
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
1
RotatableBondCount:
3
Xlogp3:
2.5
CatalogNumber: AB44492
ChemicalName: 3-Formylbenzoic acid
CasNumber: 619-21-6
MolecularFormula: C8H6O3
MolecularWeight: 150.1314
MdlNumber: MFCD00039575
Smiles: O=Cc1cccc(c1)C(=O)O
Complexity: 165
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 1.6
CatalogNumber:
AB44492
ChemicalName:
3-Formylbenzoic acid
CasNumber:
619-21-6
MolecularFormula:
C8H6O3
MolecularWeight:
150.1314
MdlNumber:
MFCD00039575
Smiles:
O=Cc1cccc(c1)C(=O)O
Complexity:
165
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
1.6
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MolecularFormula: __
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Smiles: CC1=CCC2C(C1)C2(C)C
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Xlogp3: __
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Smiles:
CC1=CCC2C(C1)C2(C)C
Complexity:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: CC(C=C)Cl
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Smiles:
CC(C=C)Cl
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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