AI51795
52549-17-4 | 2-{5H-chromeno[2,3-b]pyridin-7-yl}propanoic acid
Manufacturer: A2B Chem
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CatalogNumber
AI51795
ChemicalName
2-{5H-chromeno[2,3-b]pyridin-7-yl}propanoic acid
CasNumber
52549-17-4
MolecularFormula
C15H13NO3
MolecularWeight
255.2686
MdlNumber
MFCD00866111
Smiles
OC(=O)C(c1ccc2c(c1)Cc1c(O2)nccc1)C
NscNumber
759832
Complexity
346
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
2.7
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CatalogNumber: AI51795
ChemicalName: 2-{5H-chromeno[2,3-b]pyridin-7-yl}propanoic acid
CasNumber: 52549-17-4
MolecularFormula: C15H13NO3
MolecularWeight: 255.2686
MdlNumber: MFCD00866111
Smiles: OC(=O)C(c1ccc2c(c1)Cc1c(O2)nccc1)C
NscNumber: 759832
Complexity: 346
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: 2.7
CatalogNumber:
AI51795
ChemicalName:
2-{5H-chromeno[2,3-b]pyridin-7-yl}propanoic acid
CasNumber:
52549-17-4
MolecularFormula:
C15H13NO3
MolecularWeight:
255.2686
MdlNumber:
MFCD00866111
Smiles:
OC(=O)C(c1ccc2c(c1)Cc1c(O2)nccc1)C
NscNumber:
759832
Complexity:
346
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
2.7
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Smiles: C=CCOCC(CS(=O)(=O)[O-])O.[Na+]
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Smiles:
C=CCOCC(CS(=O)(=O)[O-])O.[Na+]
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Smiles: Clc1onc(n1)c1ccccc1F
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Smiles:
Clc1onc(n1)c1ccccc1F
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
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Xlogp3:
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Smiles: OC1CC(OC1COP(=O)(O)O)n1cnc2c1[nH]c(N)nc2=O.[Na].[Na].O.O.O.O
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
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HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC1CC(OC1COP(=O)(O)O)n1cnc2c1[nH]c(N)nc2=O.[Na].[Na].O.O.O.O
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__