AG69579
6125-57-1 | Methyl trans-4-hydroxycyclohexanecarboxylate
Manufacturer: A2B Chem
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CatalogNumber
AG69579
ChemicalName
Methyl trans-4-hydroxycyclohexanecarboxylate
CasNumber
6125-57-1
MolecularFormula
C8H14O3
MolecularWeight
158.195
MdlNumber
MFCD20441963
Smiles
COC(=O)[C@@H]1CC[C@H](CC1)O
Complexity
136
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
0.7
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CatalogNumber: AG69579
ChemicalName: Methyl trans-4-hydroxycyclohexanecarboxylate
CasNumber: 6125-57-1
MolecularFormula: C8H14O3
MolecularWeight: 158.195
MdlNumber: MFCD20441963
Smiles: COC(=O)[C@@H]1CC[C@H](CC1)O
Complexity: 136
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 0.7
CatalogNumber:
AG69579
ChemicalName:
Methyl trans-4-hydroxycyclohexanecarboxylate
CasNumber:
6125-57-1
MolecularFormula:
C8H14O3
MolecularWeight:
158.195
MdlNumber:
MFCD20441963
Smiles:
COC(=O)[C@@H]1CC[C@H](CC1)O
Complexity:
136
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
0.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COCC(C(=O)O)Br
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COCC(C(=O)O)Br
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AG69581
ChemicalName: 4-Aminophthalide
CasNumber: 59434-19-4
MolecularFormula: C8H7NO2
MolecularWeight: 149.1467
MdlNumber: MFCD04117950
Smiles: O=C1OCc2c1cccc2N
Complexity: 181
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 0.7
CatalogNumber:
AG69581
ChemicalName:
4-Aminophthalide
CasNumber:
59434-19-4
MolecularFormula:
C8H7NO2
MolecularWeight:
149.1467
MdlNumber:
MFCD04117950
Smiles:
O=C1OCc2c1cccc2N
Complexity:
181
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
0.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C1CC2(CCC3=C(C=CC(=C32)O)Br)C4=C(C=CC(=C41)Br)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C1CC2(CCC3=C(C=CC(=C32)O)Br)C4=C(C=CC(=C41)Br)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__