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100606-37-9 | 2-Propenoic acid, 3-(4-methoxy-2-methylphenyl)-, ethyl ester, (2E)-
CAS No: 100606-37-9 Catalog No: AG0002HF MDL No:
Product Description
Catalog Number:
AG0002HF
Chemical Name:
2-Propenoic acid, 3-(4-methoxy-2-methylphenyl)-, ethyl ester, (2E)-
CAS Number:
100606-37-9
Molecular Formula:
C13H16O3
Molecular Weight:
220.2643
IUPAC Name:
ethyl 3-(4-methoxy-2-methylphenyl)prop-2-enoate
InChI:
InChI=1S/C13H16O3/c1-4-16-13(14)8-6-11-5-7-12(15-3)9-10(11)2/h5-9H,4H2,1-3H3
InChI Key:
FHXBWWQNTOQDBP-UHFFFAOYSA-N
SMILES:
CCOC(=O)/C=C/c1ccc(cc1C)OC
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.11g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.268g/mol
Monoisotopic Mass:
220.11g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.9
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