AD34768
40611-79-8 | Methyl 4-formyl-1H-pyrrole-2-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AD34768
ChemicalName
Methyl 4-formyl-1H-pyrrole-2-carboxylate
CasNumber
40611-79-8
MolecularFormula
C7H7NO3
MolecularWeight
153.1354
MdlNumber
MFCD02179575
Smiles
COC(=O)c1cc(c[nH]1)C=O
Complexity
169
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
0.4
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CatalogNumber: AD34768
ChemicalName: Methyl 4-formyl-1H-pyrrole-2-carboxylate
CasNumber: 40611-79-8
MolecularFormula: C7H7NO3
MolecularWeight: 153.1354
MdlNumber: MFCD02179575
Smiles: COC(=O)c1cc(c[nH]1)C=O
Complexity: 169
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 0.4
CatalogNumber:
AD34768
ChemicalName:
Methyl 4-formyl-1H-pyrrole-2-carboxylate
CasNumber:
40611-79-8
MolecularFormula:
C7H7NO3
MolecularWeight:
153.1354
MdlNumber:
MFCD02179575
Smiles:
COC(=O)c1cc(c[nH]1)C=O
Complexity:
169
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
0.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: O=C(NCC(F)(F)F)NCC(F)(F)F
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
O=C(NCC(F)(F)F)NCC(F)(F)F
Complexity:
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__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: [O-][N+](=O)c1cc(ccc1Oc1cccnc1)[N+](=O)[O-]
Complexity: __
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HeavyAtomCount: __
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Xlogp3: __
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MolecularFormula:
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Smiles:
[O-][N+](=O)c1cc(ccc1Oc1cccnc1)[N+](=O)[O-]
Complexity:
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Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: COc1ccc(cc1)[C@H]1Sc2ccccc2N(C(=O)[C@H]1O)CCN(C)C.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
COc1ccc(cc1)[C@H]1Sc2ccccc2N(C(=O)[C@H]1O)CCN(C)C.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__