AB65493
5617-74-3 | 3-Oxabicyclo[3.1.0]hexane-2,4-dione
Manufacturer: A2B Chem
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CatalogNumber
AB65493
ChemicalName
3-Oxabicyclo[3.1.0]hexane-2,4-dione
CasNumber
5617-74-3
MolecularFormula
C5H4O3
MolecularWeight
112.0835
MdlNumber
MFCD00126929
Smiles
O=C1OC(=O)C2C1C2
Complexity
155
Covalently-bondedUnitCount
1
HeavyAtomCount
8
HydrogenBondAcceptorCount
3
UndefinedAtomStereocenterCount
2
Xlogp3
-0.3
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CatalogNumber: AB65493
ChemicalName: 3-Oxabicyclo[3.1.0]hexane-2,4-dione
CasNumber: 5617-74-3
MolecularFormula: C5H4O3
MolecularWeight: 112.0835
MdlNumber: MFCD00126929
Smiles: O=C1OC(=O)C2C1C2
Complexity: 155
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 3
UndefinedAtomStereocenterCount: 2
Xlogp3: -0.3
CatalogNumber:
AB65493
ChemicalName:
3-Oxabicyclo[3.1.0]hexane-2,4-dione
CasNumber:
5617-74-3
MolecularFormula:
C5H4O3
MolecularWeight:
112.0835
MdlNumber:
MFCD00126929
Smiles:
O=C1OC(=O)C2C1C2
Complexity:
155
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
3
UndefinedAtomStereocenterCount:
2
Xlogp3:
-0.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC1(N)COC1
Complexity: 58.6
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: -0.8
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC1(N)COC1
Complexity:
58.6
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
-0.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#Cc1ccc2c(c1)C(=O)OC2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#Cc1ccc2c(c1)C(=O)OC2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=c1c(ccn[nH]1)C#N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=c1c(ccn[nH]1)C#N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__