AB55340
19337-97-4 | trans-3-(3-Pyridyl)acrylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB55340
ChemicalName
trans-3-(3-Pyridyl)acrylic acid
CasNumber
19337-97-4
MolecularFormula
C8H7NO2
MolecularWeight
149.1467
MdlNumber
MFCD00006410
Smiles
OC(=O)/C=C/c1cccnc1
Complexity
166
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
0.8
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CatalogNumber: AB55340
ChemicalName: trans-3-(3-Pyridyl)acrylic acid
CasNumber: 19337-97-4
MolecularFormula: C8H7NO2
MolecularWeight: 149.1467
MdlNumber: MFCD00006410
Smiles: OC(=O)/C=C/c1cccnc1
Complexity: 166
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 0.8
CatalogNumber:
AB55340
ChemicalName:
trans-3-(3-Pyridyl)acrylic acid
CasNumber:
19337-97-4
MolecularFormula:
C8H7NO2
MolecularWeight:
149.1467
MdlNumber:
MFCD00006410
Smiles:
OC(=O)/C=C/c1cccnc1
Complexity:
166
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
0.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)/C=C/Br
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)/C=C/Br
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)/C=C/I
Complexity: 76.9
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)/C=C/I
Complexity:
76.9
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1
CatalogNumber: AB55343
ChemicalName: (E)-3-Methoxy-1-propen-1-ylboronic acid, pinacol ester
CasNumber: 165059-42-7
MolecularFormula: C10H19BO3
MolecularWeight: 198.0671
MdlNumber: MFCD05664297
Smiles: COC/C=C/B1OC(C(O1)(C)C)(C)C
Complexity: 207
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: __
CatalogNumber:
AB55343
ChemicalName:
(E)-3-Methoxy-1-propen-1-ylboronic acid, pinacol ester
CasNumber:
165059-42-7
MolecularFormula:
C10H19BO3
MolecularWeight:
198.0671
MdlNumber:
MFCD05664297
Smiles:
COC/C=C/B1OC(C(O1)(C)C)(C)C
Complexity:
207
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
__