AF29337
207399-25-5 | Isoquinoline-3-carboxylic acid hydrate
Manufacturer: A2B Chem
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CatalogNumber
AF29337
ChemicalName
Isoquinoline-3-carboxylic acid hydrate
CasNumber
207399-25-5
MolecularFormula
C10H9NO3
MolecularWeight
191.1834
MdlNumber
MFCD00167216
Smiles
C1=CC=C2C=NC(=CC2=C1)C(=O)O.O
Complexity
205
Covalently-bondedUnitCount
2
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
1
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CatalogNumber: AF29337
ChemicalName: Isoquinoline-3-carboxylic acid hydrate
CasNumber: 207399-25-5
MolecularFormula: C10H9NO3
MolecularWeight: 191.1834
MdlNumber: MFCD00167216
Smiles: C1=CC=C2C=NC(=CC2=C1)C(=O)O.O
Complexity: 205
Covalently-bondedUnitCount: 2
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 1
CatalogNumber:
AF29337
ChemicalName:
Isoquinoline-3-carboxylic acid hydrate
CasNumber:
207399-25-5
MolecularFormula:
C10H9NO3
MolecularWeight:
191.1834
MdlNumber:
MFCD00167216
Smiles:
C1=CC=C2C=NC(=CC2=C1)C(=O)O.O
Complexity:
205
Covalently-bondedUnitCount:
2
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
1
CatalogNumber: AF29338
ChemicalName: 5-Azabenzimidazole
CasNumber: 272-97-9
MolecularFormula: C6H5N3
MolecularWeight: 119.124
MdlNumber: MFCD00051808
Smiles: c1ncc2c(c1)[nH]cn2
Complexity: 105
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: __
CatalogNumber:
AF29338
ChemicalName:
5-Azabenzimidazole
CasNumber:
272-97-9
MolecularFormula:
C6H5N3
MolecularWeight:
119.124
MdlNumber:
MFCD00051808
Smiles:
c1ncc2c(c1)[nH]cn2
Complexity:
105
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(=CC(=O)C)O[Tl]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=CC(=O)C)O[Tl]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: BrCCCCCCc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
BrCCCCCCc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__