AB45338
591-11-7 | 5-Methylfuran-2(5H)-one
Manufacturer: A2B Chem
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CatalogNumber
AB45338
ChemicalName
5-Methylfuran-2(5H)-one
CasNumber
591-11-7
MolecularFormula
C5H6O2
MolecularWeight
98.0999
MdlNumber
MFCD01725808
Smiles
CC1C=CC(=O)O1
Complexity
115
Covalently-bondedUnitCount
1
HeavyAtomCount
7
HydrogenBondAcceptorCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
0.6
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CatalogNumber: AB45338
ChemicalName: 5-Methylfuran-2(5H)-one
CasNumber: 591-11-7
MolecularFormula: C5H6O2
MolecularWeight: 98.0999
MdlNumber: MFCD01725808
Smiles: CC1C=CC(=O)O1
Complexity: 115
Covalently-bondedUnitCount: 1
HeavyAtomCount: 7
HydrogenBondAcceptorCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: 0.6
CatalogNumber:
AB45338
ChemicalName:
5-Methylfuran-2(5H)-one
CasNumber:
591-11-7
MolecularFormula:
C5H6O2
MolecularWeight:
98.0999
MdlNumber:
MFCD01725808
Smiles:
CC1C=CC(=O)O1
Complexity:
115
Covalently-bondedUnitCount:
1
HeavyAtomCount:
7
HydrogenBondAcceptorCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
0.6
CatalogNumber: AB45339
ChemicalName: 3-Methyl-5-nitro-1h-pyrazole
CasNumber: 34334-96-8
MolecularFormula: C4H5N3O2
MolecularWeight: 127.1014
MdlNumber: MFCD00514181
Smiles: [O-][N+](=O)c1cc([nH]n1)C
Complexity: 122
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 3
UndefinedAtomStereocenterCount: __
Xlogp3: 0.8
CatalogNumber:
AB45339
ChemicalName:
3-Methyl-5-nitro-1h-pyrazole
CasNumber:
34334-96-8
MolecularFormula:
C4H5N3O2
MolecularWeight:
127.1014
MdlNumber:
MFCD00514181
Smiles:
[O-][N+](=O)c1cc([nH]n1)C
Complexity:
122
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
3
UndefinedAtomStereocenterCount:
__
Xlogp3:
0.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1ccc2c(c1)ccs2
Complexity: 122
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 3.3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1ccc2c(c1)ccs2
Complexity:
122
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
3.3
CatalogNumber: AB45341
ChemicalName: 5-Methylcytidine
CasNumber: 2140-61-6
MolecularFormula: C10H15N3O5
MolecularWeight: 257.2432
MdlNumber: MFCD00006548
Smiles: OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cc(C)c(nc1=O)N
Complexity: 422
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 5
UndefinedAtomStereocenterCount: __
Xlogp3: -2
CatalogNumber:
AB45341
ChemicalName:
5-Methylcytidine
CasNumber:
2140-61-6
MolecularFormula:
C10H15N3O5
MolecularWeight:
257.2432
MdlNumber:
MFCD00006548
Smiles:
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cc(C)c(nc1=O)N
Complexity:
422
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
5
UndefinedAtomStereocenterCount:
__
Xlogp3:
-2