AA40804
13115-43-0 | 2-Pyridylacetic acid
Manufacturer: A2B Chem
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CatalogNumber
AA40804
ChemicalName
2-Pyridylacetic acid
CasNumber
13115-43-0
MolecularFormula
C7H7NO2
MolecularWeight
137.136
MdlNumber
MFCD03412533
Smiles
OC(=O)Cc1ccccn1
Complexity
125
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
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CatalogNumber: AA40804
ChemicalName: 2-Pyridylacetic acid
CasNumber: 13115-43-0
MolecularFormula: C7H7NO2
MolecularWeight: 137.136
MdlNumber: MFCD03412533
Smiles: OC(=O)Cc1ccccn1
Complexity: 125
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
CatalogNumber:
AA40804
ChemicalName:
2-Pyridylacetic acid
CasNumber:
13115-43-0
MolecularFormula:
C7H7NO2
MolecularWeight:
137.136
MdlNumber:
MFCD03412533
Smiles:
OC(=O)Cc1ccccn1
Complexity:
125
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
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Smiles: CC(=O)N(O)C
Complexity: __
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HydrogenBondAcceptorCount: __
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RotatableBondCount: __
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Smiles:
CC(=O)N(O)C
Complexity:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: NC(=N)NO
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Smiles:
NC(=N)NO
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
__
RotatableBondCount:
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Smiles: OC[C@H]1O[C@@H]([C@@H]([C@@H]1OP(=O)(O[C@@H](CNC(=O)CC[C@@]1(C)/C/2=C(C)/C3=NC(=CC4=N/C(=C(C5=N[C@]([C@@H]([C@@H]1CC(=O)N)[N-]2)(C)[C@@](C)(CC(=O)N)[C@@H]5CCC(=O)N)/C)/[C@@]([C@@H]4CCC(=O)N)(C)CC(=O)N)C([C@@H]3CCC(=O)N)(C)C)C)[O-])O)n1cnc2c1cc(C)c(c2)C.[C-]#N.[57Co+2]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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RotatableBondCount: __
CatalogNumber:
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
OC[C@H]1O[C@@H]([C@@H]([C@@H]1OP(=O)(O[C@@H](CNC(=O)CC[C@@]1(C)/C/2=C(C)/C3=NC(=CC4=N/C(=C(C5=N[C@]([C@@H]([C@@H]1CC(=O)N)[N-]2)(C)[C@@](C)(CC(=O)N)[C@@H]5CCC(=O)N)/C)/[C@@]([C@@H]4CCC(=O)N)(C)CC(=O)N)C([C@@H]3CCC(=O)N)(C)C)C)[O-])O)n1cnc2c1cc(C)c(c2)C.[C-]#N.[57Co+2]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__