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123248-21-5 | 2-Propenoic acid, 3-(4-methylphenyl)-, butyl ester, (2E)-
CAS No: 123248-21-5 Catalog No: AG000K8V MDL No:
Product Description
Catalog Number:
AG000K8V
Chemical Name:
2-Propenoic acid, 3-(4-methylphenyl)-, butyl ester, (2E)-
CAS Number:
123248-21-5
Molecular Formula:
C14H18O2
Molecular Weight:
218.2915
IUPAC Name:
butyl 3-(4-methylphenyl)prop-2-enoate
InChI:
InChI=1S/C14H18O2/c1-3-4-11-16-14(15)10-9-13-7-5-12(2)6-8-13/h5-10H,3-4,11H2,1-2H3
InChI Key:
HSZFATWQHNKARJ-UHFFFAOYSA-N
SMILES:
CCCCOC(=O)/C=C/c1ccc(cc1)C
Properties
Complexity:
225
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:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.8
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