COC(=O)CC1=CC=C(C=C1)C(=O)OC
CAS: 52787-14-1
Nombre: methyl 4-(2-methoxy-2-oxoethyl)benzoate
SMILES: COC(=O)CC1=CC=C(C=C1)C(=O)OC

Molecular Processing

Molecular formula
C11H12O4
Molecular weight
208.21
Exact mass
208.0736
XLogP
1.19
TPSA
52.6
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
15
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
53.5

Supplementary Information

InChIKey: QAQYBHOZQQRJBA-UHFFFAOYSA-N
Sinónimos
Benzeneacetic acid, 4-(methoxycarbonyl)-, methyl esterRefChem:562862692-016-5methyl 4-(2-methoxy-2-oxoethyl)benzoate52787-14-14-METHOXYCARBONYLMETHYL-BENZOIC ACID METHYL ESTERMFCD07779210DIMETHYL HOMOTEREPHTHALATEhomoterephthalic acid dimethyl esterMethyl 4-(2-methoxy-2-oxo-ethyl)benzoate4-Methoxycarbonylmethylbenzoic acid methyl esterHomoterephalic acidMethyl 4-MethoxycarbonylphenylacetateH8FX2WCF6WSCHEMBL1198228(2-methoxy-2-oxoethyl)benzoateDTXSID50441409QAQYBHOZQQRJBA-UHFFFAOYSA-NDimethyl p-(carboxymethyl)benzoateCS-M1409AKOS015890025FH31070MB04758Methyl 4-(Methoxycarbonyl)phenylacetateMethyl 4-(methoxycarbonyl)benzeneacetatemethyl4-(2-methoxy-2-oxoethyl)benzoateAC-28389AS-18399SY020974DB-028954
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