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13263-68-8 | Butanoic acid, 3-methyl-, 4-(1-propen-1-yl)phenyl ester
CAS No: 13263-68-8 Catalog No: AG0010XV MDL No:
Product Description
Catalog Number:
AG0010XV
Chemical Name:
Butanoic acid, 3-methyl-, 4-(1-propen-1-yl)phenyl ester
CAS Number:
13263-68-8
Molecular Formula:
C14H18O2
Molecular Weight:
218.2915
IUPAC Name:
(4-prop-1-enylphenyl) 3-methylbutanoate
InChI:
InChI=1S/C14H18O2/c1-4-5-12-6-8-13(9-7-12)16-14(15)10-11(2)3/h4-9,11H,10H2,1-3H3
InChI Key:
VFYYCKCUAQBKLA-UHFFFAOYSA-N
SMILES:
CC=Cc1ccc(cc1)OC(=O)CC(C)C
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.131g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.296g/mol
Monoisotopic Mass:
218.131g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.2
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