AD58136
22426-30-8 | 2-Cyano-2,2-dimethylacetic acid
Manufacturer: A2B Chem
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CatalogNumber
AD58136
ChemicalName
2-Cyano-2,2-dimethylacetic acid
CasNumber
22426-30-8
MolecularFormula
C5H7NO2
MolecularWeight
113.1146
MdlNumber
MFCD11100210
Smiles
N#CC(C(=O)O)(C)C
Complexity
151
Covalently-bondedUnitCount
1
HeavyAtomCount
8
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
0.6
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CatalogNumber: AD58136
ChemicalName: 2-Cyano-2,2-dimethylacetic acid
CasNumber: 22426-30-8
MolecularFormula: C5H7NO2
MolecularWeight: 113.1146
MdlNumber: MFCD11100210
Smiles: N#CC(C(=O)O)(C)C
Complexity: 151
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 0.6
CatalogNumber:
AD58136
ChemicalName:
2-Cyano-2,2-dimethylacetic acid
CasNumber:
22426-30-8
MolecularFormula:
C5H7NO2
MolecularWeight:
113.1146
MdlNumber:
MFCD11100210
Smiles:
N#CC(C(=O)O)(C)C
Complexity:
151
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
0.6
CatalogNumber: AD58139
ChemicalName: (2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-methyl-amine
CasNumber: 2242-31-1
MolecularFormula: C10H13NO2
MolecularWeight: 179.2157
MdlNumber: MFCD01659517
Smiles: CNCC1COc2c(O1)cccc2
Complexity: 163
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.3
CatalogNumber:
AD58139
ChemicalName:
(2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-methyl-amine
CasNumber:
2242-31-1
MolecularFormula:
C10H13NO2
MolecularWeight:
179.2157
MdlNumber:
MFCD01659517
Smiles:
CNCC1COc2c(O1)cccc2
Complexity:
163
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCCCC(=O)[O-].CCCCCCC(=O)[O-].[Ca+2]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCCCC(=O)[O-].CCCCCCC(=O)[O-].[Ca+2]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(CCOC(C)(C)C)(O)C
Complexity: 111
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(CCOC(C)(C)C)(O)C
Complexity:
111
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.4