AI32630
1364917-22-5 | 3,4-Dihydro-2h-pyrano[3,2-b]pyridine-8-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AI32630
ChemicalName
3,4-Dihydro-2h-pyrano[3,2-b]pyridine-8-carboxylic acid
CasNumber
1364917-22-5
MolecularFormula
C9H9NO3
MolecularWeight
179.1727
MdlNumber
MFCD21609473
Smiles
OC(=O)c1ccnc2c1OCCC2
Complexity
207
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
0.8
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CatalogNumber: AI32630
ChemicalName: 3,4-Dihydro-2h-pyrano[3,2-b]pyridine-8-carboxylic acid
CasNumber: 1364917-22-5
MolecularFormula: C9H9NO3
MolecularWeight: 179.1727
MdlNumber: MFCD21609473
Smiles: OC(=O)c1ccnc2c1OCCC2
Complexity: 207
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 0.8
CatalogNumber:
AI32630
ChemicalName:
3,4-Dihydro-2h-pyrano[3,2-b]pyridine-8-carboxylic acid
CasNumber:
1364917-22-5
MolecularFormula:
C9H9NO3
MolecularWeight:
179.1727
MdlNumber:
MFCD21609473
Smiles:
OC(=O)c1ccnc2c1OCCC2
Complexity:
207
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
0.8
CatalogNumber: __
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CasNumber: __
MolecularFormula: __
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Smiles: C1CCC(CC1)n1cnc2c1cccn2
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
C1CCC(CC1)n1cnc2c1cccn2
Complexity:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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__
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Smiles: N#Cc1c(Br)cccc1N(C)C
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Smiles:
N#Cc1c(Br)cccc1N(C)C
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
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Smiles: CC(Nc1cccc(c1C#N)Br)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
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:
CC(Nc1cccc(c1C#N)Br)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__