2-Propenoic acid, 3-(4-methoxy-1-naphthalenyl)-, ethyl ester

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Product Description

Product2-Propenoic acid, 3-(4-methoxy-1-naphthalenyl)-, ethyl ester
CAS15971-31-0
FormulaC16H16O3

Typical Product Specifications

Molecular FormulaC16H16O3
Canonicalized Compound1
Compound Complexity324
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Allowed IUPAC Nameethyl (E)-3-(4-methoxy-1-naphthyl)prop-2-enoate
Markup IUPAC Nameethyl (<I>E</I>)-3-(4-methoxynaphthalen-1-yl)prop-2-enoate
Preferred IUPAC Nameethyl (E)-3-(4-methoxynaphthalen-1-yl)prop-2-enoate
Systematic IUPAC Nameethyl (E)-3-(4-methoxynaphthalen-1-yl)prop-2-enoate
Standard InChIInChI=1S/C16H16O3/c1-3-19-16(17)11-9-12-8-10-15(18-2)14-7-5-4-6-13(12)14/h4-11H,3H2,1-2H3/b11-9+
Standard InChIKeyVBZWLZWCHZBRPA-PKNBQFBNSA-N
CAS-like Style IUPAC Name(E)-3-(4-methoxy-1-naphthalenyl)-2-propenoic acid ethyl ester
XLogP3-AA Log P3.8
Exact Mass256.109944368
Molecular Weight256.30
Canonical SMILESCCOC(=O)C=CC1=CC=C(C2=CC=CC=C12)OC
Polar Surface Area Topological35.5
MonoIsotopic Weight256.109944368
Isomeric SMILESCCOC(=O)/C=C/C1=CC=C(C2=CC=CC=C12)OC
Traditional IUPAC Name(E)-3-(4-methoxy-1-naphthyl)acrylic acid ethyl ester
ClassSpecialty Materials
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