AB49887
504-85-8 | 4-Methyl-3-pentenoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB49887
ChemicalName
4-Methyl-3-pentenoic acid
CasNumber
504-85-8
MolecularFormula
C6H10O2
MolecularWeight
114.1424
MdlNumber
MFCD01846267
Smiles
OC(=O)CC=C(C)C
Complexity
110
Covalently-bondedUnitCount
1
HeavyAtomCount
8
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.4
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CatalogNumber: AB49887
ChemicalName: 4-Methyl-3-pentenoic acid
CasNumber: 504-85-8
MolecularFormula: C6H10O2
MolecularWeight: 114.1424
MdlNumber: MFCD01846267
Smiles: OC(=O)CC=C(C)C
Complexity: 110
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.4
CatalogNumber:
AB49887
ChemicalName:
4-Methyl-3-pentenoic acid
CasNumber:
504-85-8
MolecularFormula:
C6H10O2
MolecularWeight:
114.1424
MdlNumber:
MFCD01846267
Smiles:
OC(=O)CC=C(C)C
Complexity:
110
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.4
CatalogNumber: AB49888
ChemicalName: 4-Amino-2-phenylpyridine
CasNumber: 21203-86-1
MolecularFormula: C11H10N2
MolecularWeight: 170.2105
MdlNumber: MFCD01646280
Smiles: Nc1ccnc(c1)c1ccccc1
Complexity: 152
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.1
CatalogNumber:
AB49888
ChemicalName:
4-Amino-2-phenylpyridine
CasNumber:
21203-86-1
MolecularFormula:
C11H10N2
MolecularWeight:
170.2105
MdlNumber:
MFCD01646280
Smiles:
Nc1ccnc(c1)c1ccccc1
Complexity:
152
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.1
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Smiles: c1ccc(cc1)[C@H]1N=C(O[C@H]1c1ccccc1)c1cccc(n1)C1=N[C@@H]([C@@H](O1)c1ccccc1)c1ccccc1
Complexity: __
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Smiles:
c1ccc(cc1)[C@H]1N=C(O[C@H]1c1ccccc1)c1cccc(n1)C1=N[C@@H]([C@@H](O1)c1ccccc1)c1ccccc1
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__
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: Oc1cccc2c1C1(CC2)CCc2c1c(O)ccc2
Complexity: __
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Xlogp3: __
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
Oc1cccc2c1C1(CC2)CCc2c1c(O)ccc2
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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