CCOC(=O)C(C)C1=CC=C(C=C1)C=O
CAS: 43153-04-4
الاسم: ethyl 2-(4-formylphenyl)propanoate
SMILES: CCOC(=O)C(C)C1=CC=C(C=C1)C=O

Molecular Processing

Molecular formula
C12H14O3
Molecular weight
206.24
Exact mass
206.0943
XLogP
2.17
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
15
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
56.88

Supplementary Information

InChIKey: KQPWKBOJHTURNH-UHFFFAOYSA-N
مرادفات
43153-04-4ethyl 2-(4-formylphenyl)propanoaterac 2-(4-Formylphenyl)propionic Acid Ethyl Ester4-ForMyl-alpha-Methyl-benzeneacetic Acid Ethyl Esterethyl 2-(p-formylphenyl)propionateIbuprofen Impurity 254-Formyl-?-methyl-benzeneacetic Acid Ethyl EsterSCHEMBL2063625KQPWKBOJHTURNH-UHFFFAOYSA-NDTXSID501285296ethyl 2-(4-formylphenyl)propionateEthyl 4-formyl-I+/--methylbenzeneacetate
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