AB65037
5416-80-8 | 2-Methylindole-3-carboxaldehyde
Manufacturer: A2B Chem
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CatalogNumber
AB65037
ChemicalName
2-Methylindole-3-carboxaldehyde
CasNumber
5416-80-8
MolecularFormula
C10H9NO
MolecularWeight
159.18455999999998
MdlNumber
MFCD00012077
Smiles
O=Cc1c(C)[nH]c2c1cccc2
NscNumber
11895
Complexity
181
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
1
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1.9
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CatalogNumber: AB65037
ChemicalName: 2-Methylindole-3-carboxaldehyde
CasNumber: 5416-80-8
MolecularFormula: C10H9NO
MolecularWeight: 159.18455999999998
MdlNumber: MFCD00012077
Smiles: O=Cc1c(C)[nH]c2c1cccc2
NscNumber: 11895
Complexity: 181
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.9
CatalogNumber:
AB65037
ChemicalName:
2-Methylindole-3-carboxaldehyde
CasNumber:
5416-80-8
MolecularFormula:
C10H9NO
MolecularWeight:
159.18455999999998
MdlNumber:
MFCD00012077
Smiles:
O=Cc1c(C)[nH]c2c1cccc2
NscNumber:
11895
Complexity:
181
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.9
CatalogNumber: AB65038
ChemicalName: 3-Formyl-4-hydroxybenzoic acid
CasNumber: 584-87-2
MolecularFormula: C8H6O4
MolecularWeight: 166.1308
MdlNumber: MFCD00016595
Smiles: O=Cc1cc(ccc1O)C(=O)O
NscNumber: 115705
Complexity: 190
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 1.5
CatalogNumber:
AB65038
ChemicalName:
3-Formyl-4-hydroxybenzoic acid
CasNumber:
584-87-2
MolecularFormula:
C8H6O4
MolecularWeight:
166.1308
MdlNumber:
MFCD00016595
Smiles:
O=Cc1cc(ccc1O)C(=O)O
NscNumber:
115705
Complexity:
190
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
1.5
CatalogNumber: AB65039
ChemicalName: 3-Formyl-4-hydroxybenzonitrile
CasNumber: 74901-29-4
MolecularFormula: C8H5NO2
MolecularWeight: 147.1308
MdlNumber: MFCD09839541
Smiles: O=Cc1cc(C#N)ccc1O
NscNumber: __
Complexity: 194
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.3
CatalogNumber:
AB65039
ChemicalName:
3-Formyl-4-hydroxybenzonitrile
CasNumber:
74901-29-4
MolecularFormula:
C8H5NO2
MolecularWeight:
147.1308
MdlNumber:
MFCD09839541
Smiles:
O=Cc1cc(C#N)ccc1O
NscNumber:
__
Complexity:
194
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=Cc1cc(ccc1OC)C(=O)O
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=Cc1cc(ccc1OC)C(=O)O
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__