AB67683
3618-04-0 | Ethyl trans-4-hydroxycyclohexanecarboxylate
Manufacturer: A2B Chem
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CatalogNumber
AB67683
ChemicalName
Ethyl trans-4-hydroxycyclohexanecarboxylate
CasNumber
3618-04-0
MolecularFormula
C9H16O3
MolecularWeight
172.2215
MdlNumber
MFCD16295187
Smiles
CCOC(=O)[C@@H]1CC[C@H](CC1)O
Complexity
148
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
1
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CatalogNumber: AB67683
ChemicalName: Ethyl trans-4-hydroxycyclohexanecarboxylate
CasNumber: 3618-04-0
MolecularFormula: C9H16O3
MolecularWeight: 172.2215
MdlNumber: MFCD16295187
Smiles: CCOC(=O)[C@@H]1CC[C@H](CC1)O
Complexity: 148
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1
CatalogNumber:
AB67683
ChemicalName:
Ethyl trans-4-hydroxycyclohexanecarboxylate
CasNumber:
3618-04-0
MolecularFormula:
C9H16O3
MolecularWeight:
172.2215
MdlNumber:
MFCD16295187
Smiles:
CCOC(=O)[C@@H]1CC[C@H](CC1)O
Complexity:
148
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Oc1ccc(cc1)C1CC(=O)c2c(O1)cccc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Oc1ccc(cc1)C1CC(=O)c2c(O1)cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB67685
ChemicalName: 4-Hydroxyisophthalaldehyde
CasNumber: 3328-70-9
MolecularFormula: C8H6O3
MolecularWeight: 150.1314
MdlNumber: MFCD00003334
Smiles: O=Cc1ccc(c(c1)C=O)O
Complexity: 155
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.3
CatalogNumber:
AB67685
ChemicalName:
4-Hydroxyisophthalaldehyde
CasNumber:
3328-70-9
MolecularFormula:
C8H6O3
MolecularWeight:
150.1314
MdlNumber:
MFCD00003334
Smiles:
O=Cc1ccc(c(c1)C=O)O
Complexity:
155
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC([C@@H]([C@@H](C(=O)O)N)C)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC([C@@H]([C@@H](C(=O)O)N)C)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__