AH95396
87743-10-0 | 3-[(Dimethylamino)methyl]-4-hydroxy-5-methoxybenzenecarbaldehyde
Manufacturer: A2B Chem
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CatalogNumber
AH95396
ChemicalName
3-[(Dimethylamino)methyl]-4-hydroxy-5-methoxybenzenecarbaldehyde
CasNumber
87743-10-0
MolecularFormula
C11H15NO3
MolecularWeight
209.2417
MdlNumber
MFCD03011572
Smiles
COc1cc(C=O)cc(c1O)CN(C)C
Complexity
208
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
0.8
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CatalogNumber: AH95396
ChemicalName: 3-[(Dimethylamino)methyl]-4-hydroxy-5-methoxybenzenecarbaldehyde
CasNumber: 87743-10-0
MolecularFormula: C11H15NO3
MolecularWeight: 209.2417
MdlNumber: MFCD03011572
Smiles: COc1cc(C=O)cc(c1O)CN(C)C
Complexity: 208
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 0.8
CatalogNumber:
AH95396
ChemicalName:
3-[(Dimethylamino)methyl]-4-hydroxy-5-methoxybenzenecarbaldehyde
CasNumber:
87743-10-0
MolecularFormula:
C11H15NO3
MolecularWeight:
209.2417
MdlNumber:
MFCD03011572
Smiles:
COc1cc(C=O)cc(c1O)CN(C)C
Complexity:
208
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
0.8
CatalogNumber: __
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CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: OC(=O)CSc1nc2ccccc2nc1Cc1ccccc1F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
OC(=O)CSc1nc2ccccc2nc1Cc1ccccc1F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
__
Xlogp3:
__
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Smiles: O=Cc1[nH]c2c(c1)c(ccc2Cl)C(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
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MdlNumber:
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Smiles:
O=Cc1[nH]c2c(c1)c(ccc2Cl)C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: O=C1COc2c(N1)cc(cc2[N+](=O)[O-])Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1COc2c(N1)cc(cc2[N+](=O)[O-])Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__