AB75725
21860-07-1 | Methyl 3-acetylbenzoate
Manufacturer: A2B Chem
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CatalogNumber
AB75725
ChemicalName
Methyl 3-acetylbenzoate
CasNumber
21860-07-1
MolecularFormula
C10H10O3
MolecularWeight
178.1846
MdlNumber
MFCD02579873
Smiles
COC(=O)c1cccc(c1)C(=O)C
Complexity
210
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
RotatableBondCount
3
Xlogp3
1.9
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CatalogNumber: AB75725
ChemicalName: Methyl 3-acetylbenzoate
CasNumber: 21860-07-1
MolecularFormula: C10H10O3
MolecularWeight: 178.1846
MdlNumber: MFCD02579873
Smiles: COC(=O)c1cccc(c1)C(=O)C
Complexity: 210
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 1.9
CatalogNumber:
AB75725
ChemicalName:
Methyl 3-acetylbenzoate
CasNumber:
21860-07-1
MolecularFormula:
C10H10O3
MolecularWeight:
178.1846
MdlNumber:
MFCD02579873
Smiles:
COC(=O)c1cccc(c1)C(=O)C
Complexity:
210
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
1.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NCC(C(F)(F)F)C(=O)OC.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NCC(C(F)(F)F)C(=O)OC.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)c1cc(Cl)nc(c1N)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)c1cc(Cl)nc(c1N)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB75728
ChemicalName: Methyl 3-amino-2-methylbenzoate
CasNumber: 18583-89-6
MolecularFormula: C9H11NO2
MolecularWeight: 165.1891
MdlNumber: MFCD00211328
Smiles: Cc1c(cccc1N)C(=O)OC
Complexity: 170
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 1.5
CatalogNumber:
AB75728
ChemicalName:
Methyl 3-amino-2-methylbenzoate
CasNumber:
18583-89-6
MolecularFormula:
C9H11NO2
MolecularWeight:
165.1891
MdlNumber:
MFCD00211328
Smiles:
Cc1c(cccc1N)C(=O)OC
Complexity:
170
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
1.5