AB65999
38580-68-6 | 4-(Hydroxymethyl)cyclohexanone
Manufacturer: A2B Chem
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CatalogNumber
AB65999
ChemicalName
4-(Hydroxymethyl)cyclohexanone
CasNumber
38580-68-6
MolecularFormula
C7H12O2
MolecularWeight
128.169
MdlNumber
MFCD08056334
Smiles
OCC1CCC(=O)CC1
Complexity
99.5
Covalently-bondedUnitCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
0.2
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CatalogNumber: AB65999
ChemicalName: 4-(Hydroxymethyl)cyclohexanone
CasNumber: 38580-68-6
MolecularFormula: C7H12O2
MolecularWeight: 128.169
MdlNumber: MFCD08056334
Smiles: OCC1CCC(=O)CC1
Complexity: 99.5
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 0.2
CatalogNumber:
AB65999
ChemicalName:
4-(Hydroxymethyl)cyclohexanone
CasNumber:
38580-68-6
MolecularFormula:
C7H12O2
MolecularWeight:
128.169
MdlNumber:
MFCD08056334
Smiles:
OCC1CCC(=O)CC1
Complexity:
99.5
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
0.2
CatalogNumber: AB66000
ChemicalName: 4-Hydroxymethylphenylboronic acid
CasNumber: 59016-93-2
MolecularFormula: C7H9BO3
MolecularWeight: 151.9556
MdlNumber: MFCD00792672
Smiles: OCc1ccc(cc1)B(O)O
Complexity: 110
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 3
RotatableBondCount: 2
Xlogp3: __
CatalogNumber:
AB66000
ChemicalName:
4-Hydroxymethylphenylboronic acid
CasNumber:
59016-93-2
MolecularFormula:
C7H9BO3
MolecularWeight:
151.9556
MdlNumber:
MFCD00792672
Smiles:
OCc1ccc(cc1)B(O)O
Complexity:
110
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
3
RotatableBondCount:
2
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCC1=CC=[C-](C=C1)[B+3]12[O-]C(=O)C[N]2(C)CC(=O)[O-]1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCC1=CC=[C-](C=C1)[B+3]12[O-]C(=O)C[N]2(C)CC(=O)[O-]1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCCC(=O)c1ccc(cc1)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCCC(=O)c1ccc(cc1)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__