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18066-68-7 | Benzeneacetic acid, 3,4-dimethoxy-, ethyl ester
CAS No: 18066-68-7 Catalog No: AG002282 MDL No:MFCD00017272
Product Description
Catalog Number:
AG002282
Chemical Name:
Benzeneacetic acid, 3,4-dimethoxy-, ethyl ester
CAS Number:
18066-68-7
Molecular Formula:
C12H16O4
Molecular Weight:
224.2530
MDL Number:
MFCD00017272
IUPAC Name:
ethyl 2-(3,4-dimethoxyphenyl)acetate
InChI:
InChI=1S/C12H16O4/c1-4-16-12(13)8-9-5-6-10(14-2)11(7-9)15-3/h5-7H,4,8H2,1-3H3
InChI Key:
WZKCZNJTDZCNMH-UHFFFAOYSA-N
SMILES:
CCOC(=O)Cc1ccc(c(c1)OC)OC
EC Number:
241-974-9
UNII:
BM6F9NYZ3E
NSC Number:
10152
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.105g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.256g/mol
Monoisotopic Mass:
224.105g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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