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100347-72-6 | Benzoic acid, 3,5-dimethyl-4-(2-propen-1-yloxy)-, ethyl ester
CAS No: 100347-72-6 Catalog No: AG0001OC MDL No:
Product Description
Catalog Number:
AG0001OC
Chemical Name:
Benzoic acid, 3,5-dimethyl-4-(2-propen-1-yloxy)-, ethyl ester
CAS Number:
100347-72-6
Molecular Formula:
C14H18O3
Molecular Weight:
234.2909
IUPAC Name:
ethyl 3,5-dimethyl-4-prop-2-enoxybenzoate
InChI:
InChI=1S/C14H18O3/c1-5-7-17-13-10(3)8-12(9-11(13)4)14(15)16-6-2/h5,8-9H,1,6-7H2,2-4H3
InChI Key:
RJIKVTNJKCUWOA-UHFFFAOYSA-N
SMILES:
C=CCOc1c(C)cc(cc1C)C(=O)OCC
Properties
Complexity:
250
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:
3.5
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