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17833-56-6

17833-56-6 | 1,4-Benzenediacetic acid, 4-methyl ester

CAS No: 17833-56-6 Catalog No: AG0025Y5 MDL No:MFCD09925421

Product Description

Catalog Number:
AG0025Y5
Chemical Name:
1,4-Benzenediacetic acid, 4-methyl ester
CAS Number:
17833-56-6
Molecular Formula:
C11H12O4
Molecular Weight:
208.2106
MDL Number:
MFCD09925421
IUPAC Name:
2-[4-(2-methoxy-2-oxoethyl)phenyl]acetic acid
InChI:
InChI=1S/C11H12O4/c1-15-11(14)7-9-4-2-8(3-5-9)6-10(12)13/h2-5H,6-7H2,1H3,(H,12,13)
InChI Key:
MIHNILQBIBKVAX-UHFFFAOYSA-N
SMILES:
COC(=O)Cc1ccc(cc1)CC(=O)O

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:
1  
Isotope Atom Count:
0
Molecular Weight:
208.213g/mol
Monoisotopic Mass:
208.074g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  

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