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159516-20-8 | 2-Butenoic acid, 2-methyl-, 4-methoxy-2-(3-methyl-2-oxiranyl)phenyl ester
CAS No: 159516-20-8 Catalog No: AG001R48 MDL No:
Product Description
Catalog Number:
AG001R48
Chemical Name:
2-Butenoic acid, 2-methyl-, 4-methoxy-2-(3-methyl-2-oxiranyl)phenyl ester
CAS Number:
159516-20-8
Molecular Formula:
C15H18O4
Molecular Weight:
262.3010
IUPAC Name:
[4-methoxy-2-(3-methyloxiran-2-yl)phenyl] 2-methylbut-2-enoate
InChI:
InChI=1S/C15H18O4/c1-5-9(2)15(16)19-13-7-6-11(17-4)8-12(13)14-10(3)18-14/h5-8,10,14H,1-4H3
InChI Key:
SRKAZFSLCLSHPY-UHFFFAOYSA-N
SMILES:
CC=C(C(=O)Oc1ccc(cc1C1OC1C)OC)C
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.121g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.305g/mol
Monoisotopic Mass:
262.121g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
48.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
1
XLogP3:
2.7
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