AB45310
253870-02-9 | 5-Formyl-2,4-dimethyl-1h-pyrrole-3-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB45310
ChemicalName
5-Formyl-2,4-dimethyl-1h-pyrrole-3-carboxylic acid
CasNumber
253870-02-9
MolecularFormula
C8H9NO3
MolecularWeight
167.162
MdlNumber
MFCD06202342
Smiles
O=Cc1[nH]c(c(c1C)C(=O)O)C
Complexity
205
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
0.8
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CatalogNumber: AB45310
ChemicalName: 5-Formyl-2,4-dimethyl-1h-pyrrole-3-carboxylic acid
CasNumber: 253870-02-9
MolecularFormula: C8H9NO3
MolecularWeight: 167.162
MdlNumber: MFCD06202342
Smiles: O=Cc1[nH]c(c(c1C)C(=O)O)C
Complexity: 205
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 0.8
CatalogNumber:
AB45310
ChemicalName:
5-Formyl-2,4-dimethyl-1h-pyrrole-3-carboxylic acid
CasNumber:
253870-02-9
MolecularFormula:
C8H9NO3
MolecularWeight:
167.162
MdlNumber:
MFCD06202342
Smiles:
O=Cc1[nH]c(c(c1C)C(=O)O)C
Complexity:
205
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
0.8
CatalogNumber: AB45311
ChemicalName: 5-Formyl-2-furancarboxylic acid
CasNumber: 13529-17-4
MolecularFormula: C6H4O4
MolecularWeight: 140.0936
MdlNumber: MFCD00020924
Smiles: O=Cc1ccc(o1)C(=O)O
Complexity: 154
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 0.6
CatalogNumber:
AB45311
ChemicalName:
5-Formyl-2-furancarboxylic acid
CasNumber:
13529-17-4
MolecularFormula:
C6H4O4
MolecularWeight:
140.0936
MdlNumber:
MFCD00020924
Smiles:
O=Cc1ccc(o1)C(=O)O
Complexity:
154
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
0.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1c2cccnc2-c2c1cccn2
Complexity: 230
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1c2cccnc2-c2c1cccn2
Complexity:
230
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1
CatalogNumber: AB45313
ChemicalName: Dibenzosuberenone
CasNumber: 2222-33-5
MolecularFormula: C15H10O
MolecularWeight: 206.2393
MdlNumber: MFCD00003588
Smiles: O=c1c2ccccc2ccc2c1cccc2
Complexity: 277
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 4.2
CatalogNumber:
AB45313
ChemicalName:
Dibenzosuberenone
CasNumber:
2222-33-5
MolecularFormula:
C15H10O
MolecularWeight:
206.2393
MdlNumber:
MFCD00003588
Smiles:
O=c1c2ccccc2ccc2c1cccc2
Complexity:
277
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
4.2