AB49161
40834-42-2 | 5-Hydroxy-4-methyl-2(5H)furanone
Manufacturer: A2B Chem
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CatalogNumber
AB49161
ChemicalName
5-Hydroxy-4-methyl-2(5H)furanone
CasNumber
40834-42-2
MolecularFormula
C5H6O3
MolecularWeight
114.0993
MdlNumber
MFCD07782086
Smiles
O=C1C=C(C(O1)O)C
Complexity
148
Covalently-bondedUnitCount
1
HeavyAtomCount
8
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
UndefinedAtomStereocenterCount
1
Xlogp3
-0.4
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CatalogNumber: AB49161
ChemicalName: 5-Hydroxy-4-methyl-2(5H)furanone
CasNumber: 40834-42-2
MolecularFormula: C5H6O3
MolecularWeight: 114.0993
MdlNumber: MFCD07782086
Smiles: O=C1C=C(C(O1)O)C
Complexity: 148
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
UndefinedAtomStereocenterCount: 1
Xlogp3: -0.4
CatalogNumber:
AB49161
ChemicalName:
5-Hydroxy-4-methyl-2(5H)furanone
CasNumber:
40834-42-2
MolecularFormula:
C5H6O3
MolecularWeight:
114.0993
MdlNumber:
MFCD07782086
Smiles:
O=C1C=C(C(O1)O)C
Complexity:
148
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
UndefinedAtomStereocenterCount:
1
Xlogp3:
-0.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: SCCCCC(=O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
SCCCCC(=O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCC(Nc1c(cc(c(c1[N+](=O)[O-])C)CO)[N+](=O)[O-])CC
Complexity: 364
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 3.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCC(Nc1c(cc(c(c1[N+](=O)[O-])C)CO)[N+](=O)[O-])CC
Complexity:
364
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
3.9
CatalogNumber: AB49165
ChemicalName: 5-Methylcyclohexane-1,3-dione
CasNumber: 4341-24-6
MolecularFormula: C7H10O2
MolecularWeight: 126.1531
MdlNumber: MFCD00010379
Smiles: CC1CC(=O)CC(=O)C1
Complexity: 133
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 0.4
CatalogNumber:
AB49165
ChemicalName:
5-Methylcyclohexane-1,3-dione
CasNumber:
4341-24-6
MolecularFormula:
C7H10O2
MolecularWeight:
126.1531
MdlNumber:
MFCD00010379
Smiles:
CC1CC(=O)CC(=O)C1
Complexity:
133
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
0.4