AB74236
483-84-1 | Flavianic acid dihydrate
Manufacturer: A2B Chem
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CatalogNumber
AB74236
ChemicalName
Flavianic acid dihydrate
CasNumber
483-84-1
MolecularFormula
C10H6N2O8S
MolecularWeight
314.2282
MdlNumber
MFCD09750390
Smiles
[O-][N+](=O)c1cc([N+](=O)[O-])c2c(c1O)cc(cc2)S(=O)(=O)O
NscNumber
243753
Complexity
533
Covalently-bondedUnitCount
1
HeavyAtomCount
21
HydrogenBondAcceptorCount
8
HydrogenBondDonorCount
2
RotatableBondCount
1
Xlogp3
1.8
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CatalogNumber: AB74236
ChemicalName: Flavianic acid dihydrate
CasNumber: 483-84-1
MolecularFormula: C10H6N2O8S
MolecularWeight: 314.2282
MdlNumber: MFCD09750390
Smiles: [O-][N+](=O)c1cc([N+](=O)[O-])c2c(c1O)cc(cc2)S(=O)(=O)O
NscNumber: 243753
Complexity: 533
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 8
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 1.8
CatalogNumber:
AB74236
ChemicalName:
Flavianic acid dihydrate
CasNumber:
483-84-1
MolecularFormula:
C10H6N2O8S
MolecularWeight:
314.2282
MdlNumber:
MFCD09750390
Smiles:
[O-][N+](=O)c1cc([N+](=O)[O-])c2c(c1O)cc(cc2)S(=O)(=O)O
NscNumber:
243753
Complexity:
533
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
8
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
1.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=c1cc(oc2c1cccc2)c1ccccc1
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
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MdlNumber:
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Smiles:
O=c1cc(oc2c1cccc2)c1ccccc1
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: __
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
__
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)Nc1[nH]c2c(n1)cc(cc2)C(=O)c1ccc(cc1)F
NscNumber: __
Complexity: 454
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)Nc1[nH]c2c(n1)cc(cc2)C(=O)c1ccc(cc1)F
NscNumber:
__
Complexity:
454
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.9