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733766-71-7 | 2-Butenoic acid, 2-methyl-, 4-(2-propenyl)phenyl ester, (2Z)-
CAS No: 733766-71-7 Catalog No: AG005EJC MDL No:
Product Description
Catalog Number:
AG005EJC
Chemical Name:
2-Butenoic acid, 2-methyl-, 4-(2-propenyl)phenyl ester, (2Z)-
CAS Number:
733766-71-7
Molecular Formula:
C14H16O2
Molecular Weight:
216.2756
IUPAC Name:
(4-prop-2-enylphenyl) 2-methylbut-2-enoate
InChI:
InChI=1S/C14H16O2/c1-4-6-12-7-9-13(10-8-12)16-14(15)11(3)5-2/h4-5,7-10H,1,6H2,2-3H3
InChI Key:
MFVAGPYVXQOKCL-UHFFFAOYSA-N
SMILES:
C=CCc1ccc(cc1)OC(=O)/C(=C\C)/C
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.115g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.28g/mol
Monoisotopic Mass:
216.115g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.9
Literature
| Title | Journal |
|---|---|
| Antimicrobial compounds from Pimpinella species growing in Turkey. | Planta medica 20031001 |
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