AA45815
131610-03-2 | (E)-3-(2-Pyridinyl)-2-propen-1-ol
Manufacturer: A2B Chem
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CatalogNumber
AA45815
ChemicalName
(E)-3-(2-Pyridinyl)-2-propen-1-ol
CasNumber
131610-03-2
MolecularFormula
C8H9NO
MolecularWeight
135.1632
MdlNumber
MFCD18384384
Smiles
OCC=Cc1ccccn1
Complexity
112
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
0.6
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CatalogNumber: AA45815
ChemicalName: (E)-3-(2-Pyridinyl)-2-propen-1-ol
CasNumber: 131610-03-2
MolecularFormula: C8H9NO
MolecularWeight: 135.1632
MdlNumber: MFCD18384384
Smiles: OCC=Cc1ccccn1
Complexity: 112
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 0.6
CatalogNumber:
AA45815
ChemicalName:
(E)-3-(2-Pyridinyl)-2-propen-1-ol
CasNumber:
131610-03-2
MolecularFormula:
C8H9NO
MolecularWeight:
135.1632
MdlNumber:
MFCD18384384
Smiles:
OCC=Cc1ccccn1
Complexity:
112
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
0.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: O=C(Nc1cccc(c1)NC(=O)C=CC(=O)O)C=CC(=O)O
Complexity: 468
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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Smiles:
O=C(Nc1cccc(c1)NC(=O)C=CC(=O)O)C=CC(=O)O
Complexity:
468
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
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Smiles: O=c1c2CCCCc2[nH]c2c1cccc2
Complexity: __
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DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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Xlogp3: __
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MolecularFormula:
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MolecularWeight:
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Smiles:
O=c1c2CCCCc2[nH]c2c1cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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MolecularWeight: __
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Smiles: C/C=C(C(=O)O[C@@H]1c2c(ccc3c2oc(=O)cc3)OC([C@@H]1OC(=O)C)(C)C)/C
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C/C=C(C(=O)O[C@@H]1c2c(ccc3c2oc(=O)cc3)OC([C@@H]1OC(=O)C)(C)C)/C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__