AI51212
501-81-5 | 3-Pyridylacetic acid
Manufacturer: A2B Chem
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CatalogNumber
AI51212
ChemicalName
3-Pyridylacetic acid
CasNumber
501-81-5
MolecularFormula
C7H7NO2
MolecularWeight
137.136
MdlNumber
MFCD00066302
Smiles
OC(=O)Cc1cccnc1
NscNumber
70769
Complexity
125
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
-0.1
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CatalogNumber: AI51212
ChemicalName: 3-Pyridylacetic acid
CasNumber: 501-81-5
MolecularFormula: C7H7NO2
MolecularWeight: 137.136
MdlNumber: MFCD00066302
Smiles: OC(=O)Cc1cccnc1
NscNumber: 70769
Complexity: 125
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: -0.1
CatalogNumber:
AI51212
ChemicalName:
3-Pyridylacetic acid
CasNumber:
501-81-5
MolecularFormula:
C7H7NO2
MolecularWeight:
137.136
MdlNumber:
MFCD00066302
Smiles:
OC(=O)Cc1cccnc1
NscNumber:
70769
Complexity:
125
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
-0.1
CatalogNumber: AI51213
ChemicalName: trans-4-Hydroxycinnamic acid
CasNumber: 501-98-4
MolecularFormula: C9H8O3
MolecularWeight: 164.158
MdlNumber: MFCD00004399
Smiles: OC(=O)/C=C/c1ccc(cc1)O
NscNumber: __
Complexity: 178
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 1.5
CatalogNumber:
AI51213
ChemicalName:
trans-4-Hydroxycinnamic acid
CasNumber:
501-98-4
MolecularFormula:
C9H8O3
MolecularWeight:
164.158
MdlNumber:
MFCD00004399
Smiles:
OC(=O)/C=C/c1ccc(cc1)O
NscNumber:
__
Complexity:
178
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
1.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc(cc1)[C@@H](NC(=O)OCC1c2ccccc2-c2c1cccc2)CC(=O)O
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc(cc1)[C@@H](NC(=O)OCC1c2ccccc2-c2c1cccc2)CC(=O)O
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)C[C@@H](c1ccc(cc1)[N+](=O)[O-])N
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)C[C@@H](c1ccc(cc1)[N+](=O)[O-])N
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__