AB79859
104802-52-0 | (1R,4R)-Ethyl 4-(hydroxymethyl)cyclohexanecarboxylate
Manufacturer: A2B Chem
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CatalogNumber
AB79859
ChemicalName
(1R,4R)-Ethyl 4-(hydroxymethyl)cyclohexanecarboxylate
CasNumber
104802-52-0
MolecularFormula
C10H18O3
MolecularWeight
186.2481
MdlNumber
MFCD12965035
Smiles
CCOC(=O)[C@@H]1CC[C@H](CC1)CO
Complexity
160
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
1.2
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CatalogNumber: AB79859
ChemicalName: (1R,4R)-Ethyl 4-(hydroxymethyl)cyclohexanecarboxylate
CasNumber: 104802-52-0
MolecularFormula: C10H18O3
MolecularWeight: 186.2481
MdlNumber: MFCD12965035
Smiles: CCOC(=O)[C@@H]1CC[C@H](CC1)CO
Complexity: 160
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 1.2
CatalogNumber:
AB79859
ChemicalName:
(1R,4R)-Ethyl 4-(hydroxymethyl)cyclohexanecarboxylate
CasNumber:
104802-52-0
MolecularFormula:
C10H18O3
MolecularWeight:
186.2481
MdlNumber:
MFCD12965035
Smiles:
CCOC(=O)[C@@H]1CC[C@H](CC1)CO
Complexity:
160
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
1.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC[C@@H]1CC[C@H](CC1)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC[C@@H]1CC[C@H](CC1)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O[C@@H]1CC[C@H](CC1)NC(=O)C
Complexity: 139
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 0.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O[C@@H]1CC[C@H](CC1)NC(=O)C
Complexity:
139
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
0.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N[C@@H]1CC[C@H](CC1)C(=O)O
Complexity: 128
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: -2.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N[C@@H]1CC[C@H](CC1)C(=O)O
Complexity:
128
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
-2.2