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84604-53-5 | Propanoic acid,2-methyl-, 2-methoxy-4-(2-propen-1-yl)phenyl ester
CAS No: 84604-53-5 Catalog No: AG00511H MDL No:
Product Description
Catalog Number:
AG00511H
Chemical Name:
Propanoic acid,2-methyl-, 2-methoxy-4-(2-propen-1-yl)phenyl ester
CAS Number:
84604-53-5
Molecular Formula:
C14H18O3
Molecular Weight:
234.2909
IUPAC Name:
(2-methoxy-4-prop-2-enylphenyl) 2-methylpropanoate
InChI:
InChI=1S/C14H18O3/c1-5-6-11-7-8-12(13(9-11)16-4)17-14(15)10(2)3/h5,7-10H,1,6H2,2-4H3
InChI Key:
HWQRDSDZKQARQB-UHFFFAOYSA-N
SMILES:
C=CCc1ccc(c(c1)OC)OC(=O)C(C)C
EC Number:
283-334-1
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.126g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.295g/mol
Monoisotopic Mass:
234.126g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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