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141773-78-6 | 5-Hexenoic acid, 6-(4-methoxyphenyl)-, methyl ester
CAS No: 141773-78-6 Catalog No: AG001H1E MDL No:
Product Description
Catalog Number:
AG001H1E
Chemical Name:
5-Hexenoic acid, 6-(4-methoxyphenyl)-, methyl ester
CAS Number:
141773-78-6
Molecular Formula:
C14H18O3
Molecular Weight:
234.2909
IUPAC Name:
methyl 6-(4-methoxyphenyl)hex-5-enoate
InChI:
InChI=1S/C14H18O3/c1-16-13-10-8-12(9-11-13)6-4-3-5-7-14(15)17-2/h4,6,8-11H,3,5,7H2,1-2H3
InChI Key:
REUWIQDWJRBQAC-UHFFFAOYSA-N
SMILES:
COC(=O)CCCC=Cc1ccc(cc1)OC
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.126g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.295g/mol
Monoisotopic Mass:
234.126g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3
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