AB46504
76469-88-0 | Methyl 4-(cyanomethyl)benzoate
Manufacturer: A2B Chem
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CatalogNumber
AB46504
ChemicalName
Methyl 4-(cyanomethyl)benzoate
CasNumber
76469-88-0
MolecularFormula
C10H9NO2
MolecularWeight
175.184
MdlNumber
MFCD00060695
Smiles
N#CCc1ccc(cc1)C(=O)OC
Complexity
220
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
RotatableBondCount
3
Xlogp3
2
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CatalogNumber: AB46504
ChemicalName: Methyl 4-(cyanomethyl)benzoate
CasNumber: 76469-88-0
MolecularFormula: C10H9NO2
MolecularWeight: 175.184
MdlNumber: MFCD00060695
Smiles: N#CCc1ccc(cc1)C(=O)OC
Complexity: 220
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 2
CatalogNumber:
AB46504
ChemicalName:
Methyl 4-(cyanomethyl)benzoate
CasNumber:
76469-88-0
MolecularFormula:
C10H9NO2
MolecularWeight:
175.184
MdlNumber:
MFCD00060695
Smiles:
N#CCc1ccc(cc1)C(=O)OC
Complexity:
220
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCc1ccc(cc1)C(=O)OC
Complexity: 148
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 1.4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCc1ccc(cc1)C(=O)OC
Complexity:
148
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
1.4
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
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
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
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
Complexity:
193
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
1.8