3-[4-Methoxy-3-[(2-methylphenoxy)methyl]phenyl]prop-2-enoic acid - CAS 512809-89-1
Catalog: |
BB045137 |
Product Name: |
3-[4-Methoxy-3-[(2-methylphenoxy)methyl]phenyl]prop-2-enoic acid |
CAS: |
512809-89-1 |
Synonyms: |
(2E)-3-{4-Methoxy-3-[(2-methylphenoxy)methyl]phenyl}prop-2-enoic acid |
IUPAC Name: | (E)-3-[4-methoxy-3-[(2-methylphenoxy)methyl]phenyl]prop-2-enoic acid |
Description: | 3-[4-Methoxy-3-[(2-methylphenoxy)methyl]phenyl]prop-2-enoic acid (CAS# 512809-89-1 ) is a useful research chemical. |
Molecular Weight: | 298.33 |
Molecular Formula: | C18H18O4 |
Canonical SMILES: | CC1=CC=CC=C1OCC2=C(C=CC(=C2)C=CC(=O)O)OC |
InChI: | InChI=1S/C18H18O4/c1-13-5-3-4-6-16(13)22-12-15-11-14(8-10-18(19)20)7-9-17(15)21-2/h3-11H,12H2,1-2H3,(H,19,20) |
InChI Key: | FOMRZDQEPYLFFG-UHFFFAOYSA-N |
Complexity: | 379 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 298.12050905 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 298.12050905 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 55.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.7 |
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