Home Other Building Blocks (2E)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enoic acid

(2E)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enoic acid

CAS No.:
161179-30-2
Catalog Number:
AG01EM8W
Molecular Formula:
C12H14O4
Molecular Weight:
222.2372
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Product Description
Catalog Number:
AG01EM8W
Chemical Name:
(2E)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enoic acid
CAS Number:
161179-30-2
Molecular Formula:
C12H14O4
Molecular Weight:
222.2372
MDL Number:
MFCD02256157
IUPAC Name:
(E)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enoic acid
InChI:
InChI=1S/C12H14O4/c1-3-16-11-8-9(5-7-12(13)14)4-6-10(11)15-2/h4-8H,3H2,1-2H3,(H,13,14)/b7-5+
InChI Key:
OBWBKPZBQCSHTL-FNORWQNLSA-N
SMILES:
CCOc1cc(/C=C/C(=O)O)ccc1OC
Properties
Complexity:
249  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
222.089g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
222.24g/mol
Monoisotopic Mass:
222.089g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties