AB67660
486-60-2 | Bergaptol
Manufacturer: A2B Chem
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CatalogNumber
AB67660
ChemicalName
Bergaptol
CasNumber
486-60-2
MolecularFormula
C11H6O4
MolecularWeight
202.1629
MdlNumber
MFCD00210479
Smiles
O=c1ccc2c(o1)cc1c(c2O)cco1
NscNumber
341958
Complexity
312
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
Xlogp3
2
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CatalogNumber: AB67660
ChemicalName: Bergaptol
CasNumber: 486-60-2
MolecularFormula: C11H6O4
MolecularWeight: 202.1629
MdlNumber: MFCD00210479
Smiles: O=c1ccc2c(o1)cc1c(c2O)cco1
NscNumber: 341958
Complexity: 312
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
Xlogp3: 2
CatalogNumber:
AB67660
ChemicalName:
Bergaptol
CasNumber:
486-60-2
MolecularFormula:
C11H6O4
MolecularWeight:
202.1629
MdlNumber:
MFCD00210479
Smiles:
O=c1ccc2c(o1)cc1c(c2O)cco1
NscNumber:
341958
Complexity:
312
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
Xlogp3:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1ccc(c2c1CCC2)O
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1ccc(c2c1CCC2)O
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
Xlogp3:
__
CatalogNumber: AB67662
ChemicalName: 4-Hydroxy-8-(trifluoromethyl)quinoline-3-carboxylic acid
CasNumber: 23779-95-5
MolecularFormula: C11H6F3NO3
MolecularWeight: 257.1654
MdlNumber: MFCD00047603
Smiles: OC(=O)c1cnc2c(c1O)cccc2C(F)(F)F
NscNumber: 102792
Complexity: 416
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 2
Xlogp3: 2.7
CatalogNumber:
AB67662
ChemicalName:
4-Hydroxy-8-(trifluoromethyl)quinoline-3-carboxylic acid
CasNumber:
23779-95-5
MolecularFormula:
C11H6F3NO3
MolecularWeight:
257.1654
MdlNumber:
MFCD00047603
Smiles:
OC(=O)c1cnc2c(c1O)cccc2C(F)(F)F
NscNumber:
102792
Complexity:
416
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
2
Xlogp3:
2.7
CatalogNumber: AB67663
ChemicalName: 4-Hydroxy-8-trifluoromethylquinoline
CasNumber: 23779-96-6
MolecularFormula: C10H6F3NO
MolecularWeight: 213.1559
MdlNumber: MFCD00134577
Smiles: Oc1ccnc2c1cccc2C(F)(F)F
NscNumber: __
Complexity: 298
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
Xlogp3: 2.4
CatalogNumber:
AB67663
ChemicalName:
4-Hydroxy-8-trifluoromethylquinoline
CasNumber:
23779-96-6
MolecularFormula:
C10H6F3NO
MolecularWeight:
213.1559
MdlNumber:
MFCD00134577
Smiles:
Oc1ccnc2c1cccc2C(F)(F)F
NscNumber:
__
Complexity:
298
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
Xlogp3:
2.4