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159256-25-4 | Ethanedioic acid, 1-ethyl 2-[(4-methoxyphenyl)methyl] ester
CAS No: 159256-25-4 Catalog No: AG001QKG MDL No:
Product Description
Catalog Number:
AG001QKG
Chemical Name:
Ethanedioic acid, 1-ethyl 2-[(4-methoxyphenyl)methyl] ester
CAS Number:
159256-25-4
Molecular Formula:
C12H14O5
Molecular Weight:
238.2366
IUPAC Name:
1-O-ethyl 2-O-[(4-methoxyphenyl)methyl] oxalate
InChI:
InChI=1S/C12H14O5/c1-3-16-11(13)12(14)17-8-9-4-6-10(15-2)7-5-9/h4-7H,3,8H2,1-2H3
InChI Key:
KVPYNZDTFPCLSM-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=O)OCc1ccc(cc1)OC
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.084g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.239g/mol
Monoisotopic Mass:
238.084g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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