AB46506
3609-53-8 | Methyl 4-acetylbenzoate
Manufacturer: A2B Chem
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CatalogNumber
AB46506
ChemicalName
Methyl 4-acetylbenzoate
CasNumber
3609-53-8
MolecularFormula
C10H10O3
MolecularWeight
178.1846
MdlNumber
MFCD00216474
Smiles
COC(=O)c1ccc(cc1)C(=O)C
NscNumber
49140
Complexity
202
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
RotatableBondCount
3
Xlogp3
1.9
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CatalogNumber: AB46506
ChemicalName: Methyl 4-acetylbenzoate
CasNumber: 3609-53-8
MolecularFormula: C10H10O3
MolecularWeight: 178.1846
MdlNumber: MFCD00216474
Smiles: COC(=O)c1ccc(cc1)C(=O)C
NscNumber: 49140
Complexity: 202
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 1.9
CatalogNumber:
AB46506
ChemicalName:
Methyl 4-acetylbenzoate
CasNumber:
3609-53-8
MolecularFormula:
C10H10O3
MolecularWeight:
178.1846
MdlNumber:
MFCD00216474
Smiles:
COC(=O)c1ccc(cc1)C(=O)C
NscNumber:
49140
Complexity:
202
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
1.9
CatalogNumber: AB46507
ChemicalName: Methyl 4-amino-2,5-dimethylbenzoate
CasNumber: 21339-74-2
MolecularFormula: C10H13NO2
MolecularWeight: 179.2157
MdlNumber: MFCD09839220
Smiles: COC(=O)c1cc(C)c(cc1C)N
NscNumber: 118434
Complexity: 193
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 1.8
CatalogNumber:
AB46507
ChemicalName:
Methyl 4-amino-2,5-dimethylbenzoate
CasNumber:
21339-74-2
MolecularFormula:
C10H13NO2
MolecularWeight:
179.2157
MdlNumber:
MFCD09839220
Smiles:
COC(=O)c1cc(C)c(cc1C)N
NscNumber:
118434
Complexity:
193
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
1.8
CatalogNumber: AB46508
ChemicalName: Methyl 4-amino-3-methylbenzoate
CasNumber: 18595-14-7
MolecularFormula: C9H11NO2
MolecularWeight: 165.1891
MdlNumber: MFCD00102230
Smiles: COC(=O)c1ccc(c(c1)C)N
NscNumber: __
Complexity: 170
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 1.1
CatalogNumber:
AB46508
ChemicalName:
Methyl 4-amino-3-methylbenzoate
CasNumber:
18595-14-7
MolecularFormula:
C9H11NO2
MolecularWeight:
165.1891
MdlNumber:
MFCD00102230
Smiles:
COC(=O)c1ccc(c(c1)C)N
NscNumber:
__
Complexity:
170
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
1.1
CatalogNumber: AB46509
ChemicalName: Methyl 4-aminopyridine-2-carboxylate
CasNumber: 71469-93-7
MolecularFormula: C7H8N2O2
MolecularWeight: 152.1506
MdlNumber: MFCD00956000
Smiles: COC(=O)c1cc(N)ccn1
NscNumber: __
Complexity: 149
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
Xlogp3: 0.4
CatalogNumber:
AB46509
ChemicalName:
Methyl 4-aminopyridine-2-carboxylate
CasNumber:
71469-93-7
MolecularFormula:
C7H8N2O2
MolecularWeight:
152.1506
MdlNumber:
MFCD00956000
Smiles:
COC(=O)c1cc(N)ccn1
NscNumber:
__
Complexity:
149
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
Xlogp3:
0.4