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943910-00-7 | 2-Acetyl-3-methoxy-but-2-enoic acid methyl ester
CAS No: 943910-00-7 Catalog No: AG01FGXS MDL No:
Product Description
Catalog Number:
AG01FGXS
Chemical Name:
2-Acetyl-3-methoxy-but-2-enoic acid methyl ester
CAS Number:
943910-00-7
IUPAC Name:
4-(4,4-dimethoxybutoxy)aniline
InChI:
InChI=1S/C12H19NO3/c1-14-12(15-2)4-3-9-16-11-7-5-10(13)6-8-11/h5-8,12H,3-4,9,13H2,1-2H3
InChI Key:
SHYJYWGQEZGANR-UHFFFAOYSA-N
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.136g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.288g/mol
Monoisotopic Mass:
225.136g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
53.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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