AA92728
17449-76-2 | Methyl 4-hydroxycyclohexanecarboxylate
Manufacturer: A2B Chem
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CatalogNumber
AA92728
ChemicalName
Methyl 4-hydroxycyclohexanecarboxylate
CasNumber
17449-76-2
MolecularFormula
C8H14O3
MolecularWeight
158.195
MdlNumber
MFCD00729087
Smiles
COC(=O)C1CCC(CC1)O
Complexity
136
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
0.7
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CatalogNumber: AA92728
ChemicalName: Methyl 4-hydroxycyclohexanecarboxylate
CasNumber: 17449-76-2
MolecularFormula: C8H14O3
MolecularWeight: 158.195
MdlNumber: MFCD00729087
Smiles: COC(=O)C1CCC(CC1)O
Complexity: 136
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 0.7
CatalogNumber:
AA92728
ChemicalName:
Methyl 4-hydroxycyclohexanecarboxylate
CasNumber:
17449-76-2
MolecularFormula:
C8H14O3
MolecularWeight:
158.195
MdlNumber:
MFCD00729087
Smiles:
COC(=O)C1CCC(CC1)O
Complexity:
136
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
0.7
CatalogNumber: AA92729
ChemicalName: Dimethyl 5-fluoroisophthalate
CasNumber: 17449-48-8
MolecularFormula: C10H9FO4
MolecularWeight: 212.1745
MdlNumber: MFCD00230549
Smiles: COC(=O)c1cc(F)cc(c1)C(=O)OC
Complexity: 230
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: 4
Xlogp3: 1.7
CatalogNumber:
AA92729
ChemicalName:
Dimethyl 5-fluoroisophthalate
CasNumber:
17449-48-8
MolecularFormula:
C10H9FO4
MolecularWeight:
212.1745
MdlNumber:
MFCD00230549
Smiles:
COC(=O)c1cc(F)cc(c1)C(=O)OC
Complexity:
230
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
4
Xlogp3:
1.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCC(C=CC=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCC(C=CC=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C=CCc1ccccc1O
Complexity: 109
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.7
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C=CCc1ccccc1O
Complexity:
109
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.7