AB13100
19167-98-7 | 1H-Pyrrol-1-ylacetic acid
Manufacturer: A2B Chem
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CatalogNumber
AB13100
ChemicalName
1H-Pyrrol-1-ylacetic acid
CasNumber
19167-98-7
MolecularFormula
C6H7NO2
MolecularWeight
125.1253
MdlNumber
MFCD00955795
Smiles
OC(=O)Cn1cccc1
NscNumber
50134
Complexity
108
Covalently-bondedUnitCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
0.7
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CatalogNumber: AB13100
ChemicalName: 1H-Pyrrol-1-ylacetic acid
CasNumber: 19167-98-7
MolecularFormula: C6H7NO2
MolecularWeight: 125.1253
MdlNumber: MFCD00955795
Smiles: OC(=O)Cn1cccc1
NscNumber: 50134
Complexity: 108
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 0.7
CatalogNumber:
AB13100
ChemicalName:
1H-Pyrrol-1-ylacetic acid
CasNumber:
19167-98-7
MolecularFormula:
C6H7NO2
MolecularWeight:
125.1253
MdlNumber:
MFCD00955795
Smiles:
OC(=O)Cn1cccc1
NscNumber:
50134
Complexity:
108
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
0.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=c1nc(nc([nH]1)c1ccccc1)c1ccccc1
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=c1nc(nc([nH]1)c1ccccc1)c1ccccc1
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1ccc(o1)Cc1ccccc1
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1ccc(o1)Cc1ccccc1
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB13104
ChemicalName: 5-Methyl-2-furoic acid
CasNumber: 1917-15-3
MolecularFormula: C6H6O3
MolecularWeight: 126.11004
MdlNumber: MFCD00092359
Smiles: Cc1ccc(o1)C(=O)O
NscNumber: 35552
Complexity: 122
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.2
CatalogNumber:
AB13104
ChemicalName:
5-Methyl-2-furoic acid
CasNumber:
1917-15-3
MolecularFormula:
C6H6O3
MolecularWeight:
126.11004
MdlNumber:
MFCD00092359
Smiles:
Cc1ccc(o1)C(=O)O
NscNumber:
35552
Complexity:
122
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.2