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114377-72-9 | 2-Heptenoic acid, 2-phenylethyl ester, (2E)-
CAS No: 114377-72-9 Catalog No: AG000B6R MDL No:
Product Description
Catalog Number:
AG000B6R
Chemical Name:
2-Heptenoic acid, 2-phenylethyl ester, (2E)-
CAS Number:
114377-72-9
Molecular Formula:
C15H20O2
Molecular Weight:
232.3181
IUPAC Name:
2-phenylethyl hept-2-enoate
InChI:
InChI=1S/C15H20O2/c1-2-3-4-8-11-15(16)17-13-12-14-9-6-5-7-10-14/h5-11H,2-4,12-13H2,1H3
InChI Key:
SXDQRYUECGKRAT-UHFFFAOYSA-N
SMILES:
CCCC/C=C/C(=O)OCCc1ccccc1
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.146g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.323g/mol
Monoisotopic Mass:
232.146g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.4
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