AB74888
493-05-0 | Isochroman
Manufacturer: A2B Chem
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CatalogNumber
AB74888
ChemicalName
Isochroman
CasNumber
493-05-0
MolecularFormula
C9H10O
MolecularWeight
134.1751
MdlNumber
MFCD00006913
Smiles
O1CCc2c(C1)cccc2
NscNumber
63362
Complexity
111
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
1
Xlogp3
1.6
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CatalogNumber: AB74888
ChemicalName: Isochroman
CasNumber: 493-05-0
MolecularFormula: C9H10O
MolecularWeight: 134.1751
MdlNumber: MFCD00006913
Smiles: O1CCc2c(C1)cccc2
NscNumber: 63362
Complexity: 111
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 1
Xlogp3: 1.6
CatalogNumber:
AB74888
ChemicalName:
Isochroman
CasNumber:
493-05-0
MolecularFormula:
C9H10O
MolecularWeight:
134.1751
MdlNumber:
MFCD00006913
Smiles:
O1CCc2c(C1)cccc2
NscNumber:
63362
Complexity:
111
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
1
Xlogp3:
1.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C=Cc1ccccc1.C=Cc1ccc(cc1)C=C.O=C=NCc1ccccc1
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C=Cc1ccccc1.C=Cc1ccc(cc1)C=C.O=C=NCc1ccccc1
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCCCCCCCCCCCCCCCN=C=O
NscNumber: __
Complexity: 234
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
Xlogp3: 9.8
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCCCCCCCCCCCCCCCN=C=O
NscNumber:
__
Complexity:
234
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
Xlogp3:
9.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O1C[C@H]1COc1nc(OC[C@H]2OC2)nc(n1)OC[C@H]1OC1
NscNumber: __
Complexity: 298
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O1C[C@H]1COc1nc(OC[C@H]2OC2)nc(n1)OC[C@H]1OC1
NscNumber:
__
Complexity:
298
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
Xlogp3:
__