AB49567
3757-53-7 | 5-Methyl-1h-pyrrole-2-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB49567
ChemicalName
5-Methyl-1h-pyrrole-2-carboxylic acid
CasNumber
3757-53-7
MolecularFormula
C6H7NO2
MolecularWeight
125.1253
MdlNumber
MFCD03011381
Smiles
Cc1ccc([nH]1)C(=O)O
Complexity
124
Covalently-bondedUnitCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
2
RotatableBondCount
1
Xlogp3
1
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CatalogNumber: AB49567
ChemicalName: 5-Methyl-1h-pyrrole-2-carboxylic acid
CasNumber: 3757-53-7
MolecularFormula: C6H7NO2
MolecularWeight: 125.1253
MdlNumber: MFCD03011381
Smiles: Cc1ccc([nH]1)C(=O)O
Complexity: 124
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 1
CatalogNumber:
AB49567
ChemicalName:
5-Methyl-1h-pyrrole-2-carboxylic acid
CasNumber:
3757-53-7
MolecularFormula:
C6H7NO2
MolecularWeight:
125.1253
MdlNumber:
MFCD03011381
Smiles:
Cc1ccc([nH]1)C(=O)O
Complexity:
124
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
1
CatalogNumber: AB49568
ChemicalName: 4-Bromo-1-methylindazole
CasNumber: 365427-30-1
MolecularFormula: C8H7BrN2
MolecularWeight: 211.0586
MdlNumber: MFCD09870042
Smiles: Brc1cccc2c1cnn2C
Complexity: 151
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.3
CatalogNumber:
AB49568
ChemicalName:
4-Bromo-1-methylindazole
CasNumber:
365427-30-1
MolecularFormula:
C8H7BrN2
MolecularWeight:
211.0586
MdlNumber:
MFCD09870042
Smiles:
Brc1cccc2c1cnn2C
Complexity:
151
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C1CCN1.Cl
Complexity: 17.2
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C1CCN1.Cl
Complexity:
17.2
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB49570
ChemicalName: (4S)-1-Boc-4-methyl-L-proline
CasNumber: 364750-81-2
MolecularFormula: C11H19NO4
MolecularWeight: 229.2729
MdlNumber: MFCD07784043
Smiles: C[C@@H]1CN([C@@H](C1)C(=O)O)C(=O)OC(C)(C)C
Complexity: 295
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.7
CatalogNumber:
AB49570
ChemicalName:
(4S)-1-Boc-4-methyl-L-proline
CasNumber:
364750-81-2
MolecularFormula:
C11H19NO4
MolecularWeight:
229.2729
MdlNumber:
MFCD07784043
Smiles:
C[C@@H]1CN([C@@H](C1)C(=O)O)C(=O)OC(C)(C)C
Complexity:
295
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.7