AA82728
16052-40-7 | (1R,2S,5R)-2-Isopropyl-5-methylcyclohexanecarboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AA82728
ChemicalName
(1R,2S,5R)-2-Isopropyl-5-methylcyclohexanecarboxylic acid
CasNumber
16052-40-7
MolecularFormula
C11H20O2
MolecularWeight
184.2753
MdlNumber
MFCD00798812
Smiles
C[C@@H]1CC[C@H]([C@@H](C1)C(=O)O)C(C)C
Complexity
187
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
3
HeavyAtomCount
13
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
3.4
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CatalogNumber: AA82728
ChemicalName: (1R,2S,5R)-2-Isopropyl-5-methylcyclohexanecarboxylic acid
CasNumber: 16052-40-7
MolecularFormula: C11H20O2
MolecularWeight: 184.2753
MdlNumber: MFCD00798812
Smiles: C[C@@H]1CC[C@H]([C@@H](C1)C(=O)O)C(C)C
Complexity: 187
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 3
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 3.4
CatalogNumber:
AA82728
ChemicalName:
(1R,2S,5R)-2-Isopropyl-5-methylcyclohexanecarboxylic acid
CasNumber:
16052-40-7
MolecularFormula:
C11H20O2
MolecularWeight:
184.2753
MdlNumber:
MFCD00798812
Smiles:
C[C@@H]1CC[C@H]([C@@H](C1)C(=O)O)C(C)C
Complexity:
187
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
3
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
3.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCCN1CCN(CC1)CCCS(=O)(=O)O
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCCN1CCN(CC1)CCCS(=O)(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA82731
ChemicalName: 3-Cyanopropanoic acid
CasNumber: 16051-87-9
MolecularFormula: C4H5NO2
MolecularWeight: 99.088
MdlNumber: MFCD00233974
Smiles: N#CCCC(=O)O
Complexity: 110
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 7
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: -0.6
CatalogNumber:
AA82731
ChemicalName:
3-Cyanopropanoic acid
CasNumber:
16051-87-9
MolecularFormula:
C4H5NO2
MolecularWeight:
99.088
MdlNumber:
MFCD00233974
Smiles:
N#CCCC(=O)O
Complexity:
110
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
7
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
-0.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=CCP(=O)(O)O
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=CCP(=O)(O)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__