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138715-51-2 | 2-Propenoic acid, 3-[3-(cyclopentyloxy)-4-methoxyphenyl]-, methyl ester
CAS No: 138715-51-2 Catalog No: AG00192D MDL No:
Product Description
Catalog Number:
AG00192D
Chemical Name:
2-Propenoic acid, 3-[3-(cyclopentyloxy)-4-methoxyphenyl]-, methyl ester
CAS Number:
138715-51-2
Molecular Formula:
C16H20O4
Molecular Weight:
276.3276
IUPAC Name:
methyl (E)-3-(3-cyclopentyloxy-4-methoxyphenyl)prop-2-enoate
InChI:
InChI=1S/C16H20O4/c1-18-14-9-7-12(8-10-16(17)19-2)11-15(14)20-13-5-3-4-6-13/h7-11,13H,3-6H2,1-2H3/b10-8+
InChI Key:
GFRBHAWHFNSOCC-CSKARUKUSA-N
SMILES:
COC(=O)C=Cc1ccc(c(c1)OC1CCCC1)OC
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
276.136g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.332g/mol
Monoisotopic Mass:
276.136g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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