AB32943
111955-05-6 | Cis-2-carbomethoxycyclohexane-1-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB32943
ChemicalName
Cis-2-carbomethoxycyclohexane-1-carboxylic acid
CasNumber
111955-05-6
MolecularFormula
C18H28O8
MolecularWeight
372.4101
MdlNumber
MFCD01311242
Smiles
COC(=O)[C@H]1CCCC[C@H]1C(=O)O.COC(=O)[C@@H]1CCCC[C@@H]1C(=O)O
Complexity
212
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
1.2
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CatalogNumber: AB32943
ChemicalName: Cis-2-carbomethoxycyclohexane-1-carboxylic acid
CasNumber: 111955-05-6
MolecularFormula: C18H28O8
MolecularWeight: 372.4101
MdlNumber: MFCD01311242
Smiles: COC(=O)[C@H]1CCCC[C@H]1C(=O)O.COC(=O)[C@@H]1CCCC[C@@H]1C(=O)O
Complexity: 212
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.2
CatalogNumber:
AB32943
ChemicalName:
Cis-2-carbomethoxycyclohexane-1-carboxylic acid
CasNumber:
111955-05-6
MolecularFormula:
C18H28O8
MolecularWeight:
372.4101
MdlNumber:
MFCD01311242
Smiles:
COC(=O)[C@H]1CCCC[C@H]1C(=O)O.COC(=O)[C@@H]1CCCC[C@@H]1C(=O)O
Complexity:
212
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1CCCc2c1cc([nH]2)Br
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1CCCc2c1cc([nH]2)Br
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOP(=O)(CC(=O)OC(C)(C)C)OCC
Complexity: 259
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOP(=O)(CC(=O)OC(C)(C)C)OCC
Complexity:
259
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(C1CC1)CSc1nc2c([nH]1)cccc2
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(C1CC1)CSc1nc2c([nH]1)cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__