AF60447
31827-04-0 | 3-Hydroxyindole-2-carboxylic acid methyl ester
Manufacturer: A2B Chem
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CatalogNumber
AF60447
ChemicalName
3-Hydroxyindole-2-carboxylic acid methyl ester
CasNumber
31827-04-0
MolecularFormula
C10H9NO3
MolecularWeight
191.1834
MdlNumber
MFCD00030205
Smiles
COC(=O)c1[nH]c2c(c1O)cccc2
Complexity
231
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
2.4
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CatalogNumber: AF60447
ChemicalName: 3-Hydroxyindole-2-carboxylic acid methyl ester
CasNumber: 31827-04-0
MolecularFormula: C10H9NO3
MolecularWeight: 191.1834
MdlNumber: MFCD00030205
Smiles: COC(=O)c1[nH]c2c(c1O)cccc2
Complexity: 231
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 2.4
CatalogNumber:
AF60447
ChemicalName:
3-Hydroxyindole-2-carboxylic acid methyl ester
CasNumber:
31827-04-0
MolecularFormula:
C10H9NO3
MolecularWeight:
191.1834
MdlNumber:
MFCD00030205
Smiles:
COC(=O)c1[nH]c2c(c1O)cccc2
Complexity:
231
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
2.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1ccc2c(c1)c(C(=O)O)c(c(n2)c1cccs1)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1ccc2c(c1)c(C(=O)O)c(c(n2)c1cccs1)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AF60451
ChemicalName: 3-Bromo-2-hydroxy-5-methylbenzaldehyde
CasNumber: 33172-54-2
MolecularFormula: C8H7BrO2
MolecularWeight: 215.044
MdlNumber: MFCD00275688
Smiles: O=Cc1cc(C)cc(c1O)Br
Complexity: 149
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.6
CatalogNumber:
AF60451
ChemicalName:
3-Bromo-2-hydroxy-5-methylbenzaldehyde
CasNumber:
33172-54-2
MolecularFormula:
C8H7BrO2
MolecularWeight:
215.044
MdlNumber:
MFCD00275688
Smiles:
O=Cc1cc(C)cc(c1O)Br
Complexity:
149
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.6