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155867-03-1 | 2-Propenoic acid, 3-(4-acetylphenyl)-, butyl ester
CAS No: 155867-03-1 Catalog No: AG001OAX MDL No:
Product Description
Catalog Number:
AG001OAX
Chemical Name:
2-Propenoic acid, 3-(4-acetylphenyl)-, butyl ester
CAS Number:
155867-03-1
Molecular Formula:
C15H18O3
Molecular Weight:
246.3016
IUPAC Name:
butyl 3-(4-acetylphenyl)prop-2-enoate
InChI:
InChI=1S/C15H18O3/c1-3-4-11-18-15(17)10-7-13-5-8-14(9-6-13)12(2)16/h5-10H,3-4,11H2,1-2H3
InChI Key:
KXJMLIJUVXEVKQ-UHFFFAOYSA-N
SMILES:
CCCCOC(=O)C=Cc1ccc(cc1)C(=O)C
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.126g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.306g/mol
Monoisotopic Mass:
246.126g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.1
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