AB07192
197506-83-5 | 3-Formylindole-5-carboxylic acid methyl ester
Manufacturer: A2B Chem
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CatalogNumber
AB07192
ChemicalName
3-Formylindole-5-carboxylic acid methyl ester
CasNumber
197506-83-5
MolecularFormula
C11H9NO3
MolecularWeight
203.1941
MdlNumber
MFCD00211075
Smiles
COC(=O)c1cc2c(C=O)c[nH]c2cc1
Complexity
267
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
1.5
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CatalogNumber: AB07192
ChemicalName: 3-Formylindole-5-carboxylic acid methyl ester
CasNumber: 197506-83-5
MolecularFormula: C11H9NO3
MolecularWeight: 203.1941
MdlNumber: MFCD00211075
Smiles: COC(=O)c1cc2c(C=O)c[nH]c2cc1
Complexity: 267
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.5
CatalogNumber:
AB07192
ChemicalName:
3-Formylindole-5-carboxylic acid methyl ester
CasNumber:
197506-83-5
MolecularFormula:
C11H9NO3
MolecularWeight:
203.1941
MdlNumber:
MFCD00211075
Smiles:
COC(=O)c1cc2c(C=O)c[nH]c2cc1
Complexity:
267
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc(cc1N(C)C)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc(cc1N(C)C)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB07196
ChemicalName: Tetrahydro-2H-pyran-3-ol
CasNumber: 19752-84-2
MolecularFormula: C5H10O2
MolecularWeight: 102.1317
MdlNumber: MFCD00219387
Smiles: OC1CCCOC1
Complexity: 54
Covalently-bondedUnitCount: 1
HeavyAtomCount: 7
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: -0.1
CatalogNumber:
AB07196
ChemicalName:
Tetrahydro-2H-pyran-3-ol
CasNumber:
19752-84-2
MolecularFormula:
C5H10O2
MolecularWeight:
102.1317
MdlNumber:
MFCD00219387
Smiles:
OC1CCCOC1
Complexity:
54
Covalently-bondedUnitCount:
1
HeavyAtomCount:
7
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
-0.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1cnc(nc1OC(C)(C)C)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1cnc(nc1OC(C)(C)C)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__