AB45120
29943-42-8 | Tetrahydropyran-4-one
Manufacturer: A2B Chem
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CatalogNumber
AB45120
ChemicalName
Tetrahydropyran-4-one
CasNumber
29943-42-8
MolecularFormula
C5H8O2
MolecularWeight
100.1158
MdlNumber
MFCD00006581
Smiles
O=C1CCOCC1
Complexity
70.1
Covalently-bondedUnitCount
1
HeavyAtomCount
7
HydrogenBondAcceptorCount
2
Xlogp3
-0.5
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CatalogNumber: AB45120
ChemicalName: Tetrahydropyran-4-one
CasNumber: 29943-42-8
MolecularFormula: C5H8O2
MolecularWeight: 100.1158
MdlNumber: MFCD00006581
Smiles: O=C1CCOCC1
Complexity: 70.1
Covalently-bondedUnitCount: 1
HeavyAtomCount: 7
HydrogenBondAcceptorCount: 2
Xlogp3: -0.5
CatalogNumber:
AB45120
ChemicalName:
Tetrahydropyran-4-one
CasNumber:
29943-42-8
MolecularFormula:
C5H8O2
MolecularWeight:
100.1158
MdlNumber:
MFCD00006581
Smiles:
O=C1CCOCC1
Complexity:
70.1
Covalently-bondedUnitCount:
1
HeavyAtomCount:
7
HydrogenBondAcceptorCount:
2
Xlogp3:
-0.5
CatalogNumber: AB45121
ChemicalName: 4-Pentyn-1-ol
CasNumber: 5390-04-5
MolecularFormula: C5H8O
MolecularWeight: 84.11642
MdlNumber: MFCD00002974
Smiles: OCCCC#C
Complexity: 57.6
Covalently-bondedUnitCount: 1
HeavyAtomCount: 6
HydrogenBondAcceptorCount: 1
Xlogp3: 0.5
CatalogNumber:
AB45121
ChemicalName:
4-Pentyn-1-ol
CasNumber:
5390-04-5
MolecularFormula:
C5H8O
MolecularWeight:
84.11642
MdlNumber:
MFCD00002974
Smiles:
OCCCC#C
Complexity:
57.6
Covalently-bondedUnitCount:
1
HeavyAtomCount:
6
HydrogenBondAcceptorCount:
1
Xlogp3:
0.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1ccc(cc1)Oc1ccccc1
Complexity: 225
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
Xlogp3: 3.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1ccc(cc1)Oc1ccccc1
Complexity:
225
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
Xlogp3:
3.9
CatalogNumber: AB45123
ChemicalName: 4-Phenoxyphenol
CasNumber: 831-82-3
MolecularFormula: C12H10O2
MolecularWeight: 186.2066
MdlNumber: MFCD00002331
Smiles: Oc1ccc(cc1)Oc1ccccc1
Complexity: 156
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 2
Xlogp3: 3.4
CatalogNumber:
AB45123
ChemicalName:
4-Phenoxyphenol
CasNumber:
831-82-3
MolecularFormula:
C12H10O2
MolecularWeight:
186.2066
MdlNumber:
MFCD00002331
Smiles:
Oc1ccc(cc1)Oc1ccccc1
Complexity:
156
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
2
Xlogp3:
3.4