AB72585
10354-00-4 | Dibenzosuberenol
Manufacturer: A2B Chem
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CatalogNumber
AB72585
ChemicalName
Dibenzosuberenol
CasNumber
10354-00-4
MolecularFormula
C15H12O
MolecularWeight
208.2552
MdlNumber
MFCD00003586
Smiles
OC1c2ccccc2C=Cc2c1cccc2
NscNumber
84190
Complexity
245
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
1
HydrogenBondDonorCount
1
Xlogp3
3.2
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CatalogNumber: AB72585
ChemicalName: Dibenzosuberenol
CasNumber: 10354-00-4
MolecularFormula: C15H12O
MolecularWeight: 208.2552
MdlNumber: MFCD00003586
Smiles: OC1c2ccccc2C=Cc2c1cccc2
NscNumber: 84190
Complexity: 245
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
Xlogp3: 3.2
CatalogNumber:
AB72585
ChemicalName:
Dibenzosuberenol
CasNumber:
10354-00-4
MolecularFormula:
C15H12O
MolecularWeight:
208.2552
MdlNumber:
MFCD00003586
Smiles:
OC1c2ccccc2C=Cc2c1cccc2
NscNumber:
84190
Complexity:
245
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
Xlogp3:
3.2
CatalogNumber: AB72586
ChemicalName: Dibenzosuberol
CasNumber: 1210-34-0
MolecularFormula: C15H14O
MolecularWeight: 210.2711
MdlNumber: MFCD00003593
Smiles: Oc1cccc2c1CCc1c(C2)cccc1
NscNumber: 86157
Complexity: 214
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
Xlogp3: 3
CatalogNumber:
AB72586
ChemicalName:
Dibenzosuberol
CasNumber:
1210-34-0
MolecularFormula:
C15H14O
MolecularWeight:
210.2711
MdlNumber:
MFCD00003593
Smiles:
Oc1cccc2c1CCc1c(C2)cccc1
NscNumber:
86157
Complexity:
214
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
Xlogp3:
3
CatalogNumber: AB72587
ChemicalName: Dibenzoyl thiamine
CasNumber: 299-88-7
MolecularFormula: C26H26N4O4S
MolecularWeight: 490.574
MdlNumber: MFCD00867787
Smiles: O=CN(/C(=C(SC(=O)c1ccccc1)/CCOC(=O)c1ccccc1)/C)Cc1cnc(nc1N)C
NscNumber: __
Complexity: 750
Covalently-bondedUnitCount: 1
HeavyAtomCount: 35
HydrogenBondAcceptorCount: 8
HydrogenBondDonorCount: 1
Xlogp3: 3.8
CatalogNumber:
AB72587
ChemicalName:
Dibenzoyl thiamine
CasNumber:
299-88-7
MolecularFormula:
C26H26N4O4S
MolecularWeight:
490.574
MdlNumber:
MFCD00867787
Smiles:
O=CN(/C(=C(SC(=O)c1ccccc1)/CCOC(=O)c1ccccc1)/C)Cc1cnc(nc1N)C
NscNumber:
__
Complexity:
750
Covalently-bondedUnitCount:
1
HeavyAtomCount:
35
HydrogenBondAcceptorCount:
8
HydrogenBondDonorCount:
1
Xlogp3:
3.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)[C@@H]([C@H](C(=O)O)OC(=O)c1ccccc1)OC(=O)c1ccccc1
NscNumber: __
Complexity: 483
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
Xlogp3: 2.6
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)[C@@H]([C@H](C(=O)O)OC(=O)c1ccccc1)OC(=O)c1ccccc1
NscNumber:
__
Complexity:
483
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
Xlogp3:
2.6