AD67313
107859-98-3 | Ethyl 3-(4-(hydroxymethyl)phenyl)propanoate
Manufacturer: A2B Chem
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CatalogNumber
AD67313
ChemicalName
Ethyl 3-(4-(hydroxymethyl)phenyl)propanoate
CasNumber
107859-98-3
MolecularFormula
C12H16O3
MolecularWeight
208.2536
MdlNumber
MFCD09028871
Smiles
CCOC(=O)CCc1ccc(cc1)CO
Complexity
183
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
6
Xlogp3
1.8
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CatalogNumber: AD67313
ChemicalName: Ethyl 3-(4-(hydroxymethyl)phenyl)propanoate
CasNumber: 107859-98-3
MolecularFormula: C12H16O3
MolecularWeight: 208.2536
MdlNumber: MFCD09028871
Smiles: CCOC(=O)CCc1ccc(cc1)CO
Complexity: 183
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 6
Xlogp3: 1.8
CatalogNumber:
AD67313
ChemicalName:
Ethyl 3-(4-(hydroxymethyl)phenyl)propanoate
CasNumber:
107859-98-3
MolecularFormula:
C12H16O3
MolecularWeight:
208.2536
MdlNumber:
MFCD09028871
Smiles:
CCOC(=O)CCc1ccc(cc1)CO
Complexity:
183
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
6
Xlogp3:
1.8
CatalogNumber: AD67317
ChemicalName: Acetyl isoniazid
CasNumber: 1078-38-2
MolecularFormula: C8H9N3O2
MolecularWeight: 179.176
MdlNumber: MFCD00466330
Smiles: O=C(c1ccncc1)NNC(=O)C
Complexity: 200
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: -0.4
CatalogNumber:
AD67317
ChemicalName:
Acetyl isoniazid
CasNumber:
1078-38-2
MolecularFormula:
C8H9N3O2
MolecularWeight:
179.176
MdlNumber:
MFCD00466330
Smiles:
O=C(c1ccncc1)NNC(=O)C
Complexity:
200
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
-0.4
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Smiles: CCOc1cccc(c1)C=C
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CCOc1cccc(c1)C=C
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Smiles: Cn1cnc2c1c(=O)n(c(=O)[nH]2)O
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Smiles:
Cn1cnc2c1c(=O)n(c(=O)[nH]2)O
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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