AB80377
82-07-5 | Xanthene-9-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB80377
ChemicalName
Xanthene-9-carboxylic acid
CasNumber
82-07-5
MolecularFormula
C14H10O3
MolecularWeight
226.2274
MdlNumber
MFCD00005059
Smiles
OC(=O)C1c2ccccc2Oc2c1cccc2
NscNumber
66208
Complexity
280
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2.2
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CatalogNumber: AB80377
ChemicalName: Xanthene-9-carboxylic acid
CasNumber: 82-07-5
MolecularFormula: C14H10O3
MolecularWeight: 226.2274
MdlNumber: MFCD00005059
Smiles: OC(=O)C1c2ccccc2Oc2c1cccc2
NscNumber: 66208
Complexity: 280
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.2
CatalogNumber:
AB80377
ChemicalName:
Xanthene-9-carboxylic acid
CasNumber:
82-07-5
MolecularFormula:
C14H10O3
MolecularWeight:
226.2274
MdlNumber:
MFCD00005059
Smiles:
OC(=O)C1c2ccccc2Oc2c1cccc2
NscNumber:
66208
Complexity:
280
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=c1cnc2c([nH]1)c(=O)[nH]c(n2)N.O
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=c1cnc2c([nH]1)c(=O)[nH]c(n2)N.O
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(O)nc2O.O.O
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(O)nc2O.O.O
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB80380
ChemicalName: 4,8-Dihydroxyquinoline-2-carboxylic acid
CasNumber: 59-00-7
MolecularFormula: C10H7NO4
MolecularWeight: 205.1669
MdlNumber: MFCD00006754
Smiles: OC(=O)c1cc(O)c2c(n1)c(O)ccc2
NscNumber: 401570
Complexity: 336
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 3
RotatableBondCount: 1
Xlogp3: 0.9
CatalogNumber:
AB80380
ChemicalName:
4,8-Dihydroxyquinoline-2-carboxylic acid
CasNumber:
59-00-7
MolecularFormula:
C10H7NO4
MolecularWeight:
205.1669
MdlNumber:
MFCD00006754
Smiles:
OC(=O)c1cc(O)c2c(n1)c(O)ccc2
NscNumber:
401570
Complexity:
336
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
3
RotatableBondCount:
1
Xlogp3:
0.9