AG71141
56619-96-6 | 3-(2,2-Dimethylpropionylamino)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AG71141
ChemicalName
3-(2,2-Dimethylpropionylamino)benzoic acid
CasNumber
56619-96-6
MolecularFormula
C12H15NO3
MolecularWeight
221.2524
MdlNumber
MFCD00095905
Smiles
O=C(C(C)(C)C)Nc1cccc(c1)C(=O)O
Complexity
281
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
3
Xlogp3
2.7
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CatalogNumber: AG71141
ChemicalName: 3-(2,2-Dimethylpropionylamino)benzoic acid
CasNumber: 56619-96-6
MolecularFormula: C12H15NO3
MolecularWeight: 221.2524
MdlNumber: MFCD00095905
Smiles: O=C(C(C)(C)C)Nc1cccc(c1)C(=O)O
Complexity: 281
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 2.7
CatalogNumber:
AG71141
ChemicalName:
3-(2,2-Dimethylpropionylamino)benzoic acid
CasNumber:
56619-96-6
MolecularFormula:
C12H15NO3
MolecularWeight:
221.2524
MdlNumber:
MFCD00095905
Smiles:
O=C(C(C)(C)C)Nc1cccc(c1)C(=O)O
Complexity:
281
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
2.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C1CNC(C1)c1nc2c([nH]1)cccc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C1CNC(C1)c1nc2c([nH]1)cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [Mg+]Cc1ccccc1Br.[Br-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[Mg+]Cc1ccccc1Br.[Br-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AG71144
ChemicalName: oxane-4-carbohydrazide
CasNumber: 59293-18-4
MolecularFormula: C6H12N2O2
MolecularWeight: 144.1717
MdlNumber: MFCD09752016
Smiles: NNC(=O)C1CCOCC1
Complexity: 121
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: -0.9
CatalogNumber:
AG71144
ChemicalName:
oxane-4-carbohydrazide
CasNumber:
59293-18-4
MolecularFormula:
C6H12N2O2
MolecularWeight:
144.1717
MdlNumber:
MFCD09752016
Smiles:
NNC(=O)C1CCOCC1
Complexity:
121
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
-0.9