AB14820
18818-30-9 | 1-(4-Methyl-1H-pyrrol-3-yl)ethanone
Manufacturer: A2B Chem
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CatalogNumber
AB14820
ChemicalName
1-(4-Methyl-1H-pyrrol-3-yl)ethanone
CasNumber
18818-30-9
MolecularFormula
C7H9NO
MolecularWeight
123.1525
MdlNumber
MFCD00111582
Smiles
CC(=O)c1c[nH]cc1C
Complexity
122
Covalently-bondedUnitCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
1
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
0.8
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CatalogNumber: AB14820
ChemicalName: 1-(4-Methyl-1H-pyrrol-3-yl)ethanone
CasNumber: 18818-30-9
MolecularFormula: C7H9NO
MolecularWeight: 123.1525
MdlNumber: MFCD00111582
Smiles: CC(=O)c1c[nH]cc1C
Complexity: 122
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 0.8
CatalogNumber:
AB14820
ChemicalName:
1-(4-Methyl-1H-pyrrol-3-yl)ethanone
CasNumber:
18818-30-9
MolecularFormula:
C7H9NO
MolecularWeight:
123.1525
MdlNumber:
MFCD00111582
Smiles:
CC(=O)c1c[nH]cc1C
Complexity:
122
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
0.8
CatalogNumber: AB14821
ChemicalName: Methyl 3-(5-formyl-2,4-dimethyl-1H-pyrrol-3-yl)propanoate
CasNumber: 18818-25-2
MolecularFormula: C11H15NO3
MolecularWeight: 209.2417
MdlNumber: MFCD03701185
Smiles: COC(=O)CCc1c(C)[nH]c(c1C)C=O
Complexity: 242
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 1.4
CatalogNumber:
AB14821
ChemicalName:
Methyl 3-(5-formyl-2,4-dimethyl-1H-pyrrol-3-yl)propanoate
CasNumber:
18818-25-2
MolecularFormula:
C11H15NO3
MolecularWeight:
209.2417
MdlNumber:
MFCD03701185
Smiles:
COC(=O)CCc1c(C)[nH]c(c1C)C=O
Complexity:
242
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
1.4
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Smiles: C=CCCCC[Si](Cl)(Cl)Cl
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C=CCCCC[Si](Cl)(Cl)Cl
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Smiles: CCCCCCCCCCCCCCCCCCO[Si](OCCCCCCCCCCCCCCCCCC)(OCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC
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Smiles:
CCCCCCCCCCCCCCCCCCO[Si](OCCCCCCCCCCCCCCCCCC)(OCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC
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