AI65302
96524-70-8 | Methyl(p-formylphenyl)acetate
Manufacturer: A2B Chem
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CatalogNumber
AI65302
ChemicalName
Methyl(p-formylphenyl)acetate
CasNumber
96524-70-8
MolecularFormula
C10H10O3
MolecularWeight
178.1846
MdlNumber
MFCD17018734
Smiles
COC(=O)Cc1ccc(cc1)C=O
Complexity
181
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
RotatableBondCount
4
Xlogp3
1.3
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CatalogNumber: AI65302
ChemicalName: Methyl(p-formylphenyl)acetate
CasNumber: 96524-70-8
MolecularFormula: C10H10O3
MolecularWeight: 178.1846
MdlNumber: MFCD17018734
Smiles: COC(=O)Cc1ccc(cc1)C=O
Complexity: 181
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
RotatableBondCount: 4
Xlogp3: 1.3
CatalogNumber:
AI65302
ChemicalName:
Methyl(p-formylphenyl)acetate
CasNumber:
96524-70-8
MolecularFormula:
C10H10O3
MolecularWeight:
178.1846
MdlNumber:
MFCD17018734
Smiles:
COC(=O)Cc1ccc(cc1)C=O
Complexity:
181
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
RotatableBondCount:
4
Xlogp3:
1.3
CatalogNumber: AI65303
ChemicalName: Methyl 2-(5-oxo-4,5-dihydroisoxazol-3-yl)acetate
CasNumber: 96530-57-3
MolecularFormula: C6H7NO4
MolecularWeight: 157.1241
MdlNumber: MFCD18833115
Smiles: COC(=O)CC1=NOC(=O)C1
Complexity: 221
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 5
RotatableBondCount: 3
Xlogp3: 0.1
CatalogNumber:
AI65303
ChemicalName:
Methyl 2-(5-oxo-4,5-dihydroisoxazol-3-yl)acetate
CasNumber:
96530-57-3
MolecularFormula:
C6H7NO4
MolecularWeight:
157.1241
MdlNumber:
MFCD18833115
Smiles:
COC(=O)CC1=NOC(=O)C1
Complexity:
221
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
5
RotatableBondCount:
3
Xlogp3:
0.1
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Smiles: Fc1ccnc(n1)N
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Smiles:
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RotatableBondCount:
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Smiles: OCCc1ccc(c(c1)n1nc2c(n1)cccc2)O
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Smiles:
OCCc1ccc(c(c1)n1nc2c(n1)cccc2)O
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
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Xlogp3:
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