AB67611
3658-77-3 | 4-Hydroxy-2,5-dimethyl-3(2h)-furanone
Manufacturer: A2B Chem
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CatalogNumber
AB67611
ChemicalName
4-Hydroxy-2,5-dimethyl-3(2h)-furanone
CasNumber
3658-77-3
MolecularFormula
C6H8O3
MolecularWeight
128.1259
MdlNumber
MFCD00010706
Smiles
CC1OC(=C(C1=O)O)C
Complexity
181
Covalently-bondedUnitCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
UndefinedAtomStereocenterCount
1
Xlogp3
0.7
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CatalogNumber: AB67611
ChemicalName: 4-Hydroxy-2,5-dimethyl-3(2h)-furanone
CasNumber: 3658-77-3
MolecularFormula: C6H8O3
MolecularWeight: 128.1259
MdlNumber: MFCD00010706
Smiles: CC1OC(=C(C1=O)O)C
Complexity: 181
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
UndefinedAtomStereocenterCount: 1
Xlogp3: 0.7
CatalogNumber:
AB67611
ChemicalName:
4-Hydroxy-2,5-dimethyl-3(2h)-furanone
CasNumber:
3658-77-3
MolecularFormula:
C6H8O3
MolecularWeight:
128.1259
MdlNumber:
MFCD00010706
Smiles:
CC1OC(=C(C1=O)O)C
Complexity:
181
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
UndefinedAtomStereocenterCount:
1
Xlogp3:
0.7
CatalogNumber: AB67612
ChemicalName: 4-Hydroxy-2,6-dimethylbenzonitrile
CasNumber: 58537-99-8
MolecularFormula: C9H9NO
MolecularWeight: 147.17386
MdlNumber: MFCD00238591
Smiles: N#Cc1c(C)cc(cc1C)O
Complexity: 169
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
UndefinedAtomStereocenterCount: __
Xlogp3: 1.1
CatalogNumber:
AB67612
ChemicalName:
4-Hydroxy-2,6-dimethylbenzonitrile
CasNumber:
58537-99-8
MolecularFormula:
C9H9NO
MolecularWeight:
147.17386
MdlNumber:
MFCD00238591
Smiles:
N#Cc1c(C)cc(cc1C)O
Complexity:
169
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.1
CatalogNumber: AB67613
ChemicalName: 4-Hydroxy-2-methyl-6-trifluoromethylpyrimidine
CasNumber: 2836-44-4
MolecularFormula: C6H5F3N2O
MolecularWeight: 178.1119
MdlNumber: MFCD03265321
Smiles: FC(c1[nH]c(C)nc(=O)c1)(F)F
Complexity: 277
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
UndefinedAtomStereocenterCount: __
Xlogp3: 0.2
CatalogNumber:
AB67613
ChemicalName:
4-Hydroxy-2-methyl-6-trifluoromethylpyrimidine
CasNumber:
2836-44-4
MolecularFormula:
C6H5F3N2O
MolecularWeight:
178.1119
MdlNumber:
MFCD03265321
Smiles:
FC(c1[nH]c(C)nc(=O)c1)(F)F
Complexity:
277
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
UndefinedAtomStereocenterCount:
__
Xlogp3:
0.2
CatalogNumber: AB67614
ChemicalName: 4-Hydroxy-2-methylbenzoic acid
CasNumber: 578-39-2
MolecularFormula: C8H8O3
MolecularWeight: 152.1473
MdlNumber: MFCD02182261
Smiles: Oc1ccc(c(c1)C)C(=O)O
Complexity: 155
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
UndefinedAtomStereocenterCount: __
Xlogp3: 1.5
CatalogNumber:
AB67614
ChemicalName:
4-Hydroxy-2-methylbenzoic acid
CasNumber:
578-39-2
MolecularFormula:
C8H8O3
MolecularWeight:
152.1473
MdlNumber:
MFCD02182261
Smiles:
Oc1ccc(c(c1)C)C(=O)O
Complexity:
155
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.5