AA06238
101601-00-7 | 5-Benzyloxyindole 3-Glyoxylic Acid
Manufacturer: A2B Chem
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CatalogNumber
AA06238
ChemicalName
5-Benzyloxyindole 3-Glyoxylic Acid
CasNumber
101601-00-7
MolecularFormula
C17H13NO4
MolecularWeight
295.28942
MdlNumber
MFCD11215448
Smiles
OC(=O)C(=O)c1c[nH]c2c1cc(OCc1ccccc1)cc2
Complexity
419
Covalently-bondedUnitCount
1
HeavyAtomCount
22
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
5
Xlogp3
2.9
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CatalogNumber: AA06238
ChemicalName: 5-Benzyloxyindole 3-Glyoxylic Acid
CasNumber: 101601-00-7
MolecularFormula: C17H13NO4
MolecularWeight: 295.28942
MdlNumber: MFCD11215448
Smiles: OC(=O)C(=O)c1c[nH]c2c1cc(OCc1ccccc1)cc2
Complexity: 419
Covalently-bondedUnitCount: 1
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 5
Xlogp3: 2.9
CatalogNumber:
AA06238
ChemicalName:
5-Benzyloxyindole 3-Glyoxylic Acid
CasNumber:
101601-00-7
MolecularFormula:
C17H13NO4
MolecularWeight:
295.28942
MdlNumber:
MFCD11215448
Smiles:
OC(=O)C(=O)c1c[nH]c2c1cc(OCc1ccccc1)cc2
Complexity:
419
Covalently-bondedUnitCount:
1
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
5
Xlogp3:
2.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-][N+](=O)CC(C1C(=O)c2c(C1=O)cccc2)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-][N+](=O)CC(C1C(=O)c2c(C1=O)cccc2)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(O[C@@H]1CNCC1)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(O[C@@H]1CNCC1)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA06248
ChemicalName: Methyl 5-bromo-2-formylbenzoate
CasNumber: 1016163-89-5
MolecularFormula: C9H7BrO3
MolecularWeight: 243.0541
MdlNumber: MFCD16036575
Smiles: COC(=O)c1cc(Br)ccc1C=O
Complexity: 205
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: 3
CatalogNumber:
AA06248
ChemicalName:
Methyl 5-bromo-2-formylbenzoate
CasNumber:
1016163-89-5
MolecularFormula:
C9H7BrO3
MolecularWeight:
243.0541
MdlNumber:
MFCD16036575
Smiles:
COC(=O)c1cc(Br)ccc1C=O
Complexity:
205
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
3