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52787-14-1

52787-14-1 | Methyl 4-(2-methoxy-2-oxoethyl)benzoate

CAS No: 52787-14-1 Catalog No: AG0038O7 MDL No:MFCD07779210

Product Description

Catalog Number:
AG0038O7
Chemical Name:
Methyl 4-(2-methoxy-2-oxoethyl)benzoate
CAS Number:
52787-14-1
Molecular Formula:
C11H12O4
Molecular Weight:
208.2106
MDL Number:
MFCD07779210
IUPAC Name:
methyl 4-(2-methoxy-2-oxoethyl)benzoate
InChI:
InChI=1S/C11H12O4/c1-14-10(12)7-8-3-5-9(6-4-8)11(13)15-2/h3-6H,7H2,1-2H3
InChI Key:
QAQYBHOZQQRJBA-UHFFFAOYSA-N
SMILES:
COC(=O)Cc1ccc(cc1)C(=O)OC

Properties

Complexity:
229  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.074g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.213g/mol
Monoisotopic Mass:
208.074g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  

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