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879365-91-0 | 2-Hexenoic acid, 5-hydroxy-5-phenyl-, ethyl ester, (2E)-
CAS No: 879365-91-0 Catalog No: AG004DNB MDL No:
Product Description
Catalog Number:
AG004DNB
Chemical Name:
2-Hexenoic acid, 5-hydroxy-5-phenyl-, ethyl ester, (2E)-
CAS Number:
879365-91-0
Molecular Formula:
C14H18O3
Molecular Weight:
234.2909
IUPAC Name:
ethyl 5-hydroxy-5-phenylhex-2-enoate
InChI:
InChI=1S/C14H18O3/c1-3-17-13(15)10-7-11-14(2,16)12-8-5-4-6-9-12/h4-10,16H,3,11H2,1-2H3
InChI Key:
GZNZTXJCIWPRAX-UHFFFAOYSA-N
SMILES:
CCOC(=O)/C=C/CC(c1ccccc1)(O)C
Properties
Complexity:
267
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:
1
Isotope Atom Count:
0
Molecular Weight:
234.295g/mol
Monoisotopic Mass:
234.126g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
2.2
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