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72727-63-0 | 10-Undecenoic acid,2-phenylethyl ester
CAS No: 72727-63-0 Catalog No: AG005FI2 MDL No:
Product Description
Catalog Number:
AG005FI2
Chemical Name:
10-Undecenoic acid,2-phenylethyl ester
CAS Number:
72727-63-0
Molecular Formula:
C19H28O2
Molecular Weight:
288.4244
IUPAC Name:
2-phenylethyl undec-10-enoate
InChI:
InChI=1S/C19H28O2/c1-2-3-4-5-6-7-8-12-15-19(20)21-17-16-18-13-10-9-11-14-18/h2,9-11,13-14H,1,3-8,12,15-17H2
InChI Key:
BXLGKICTKQVKQF-UHFFFAOYSA-N
SMILES:
C=CCCCCCCCCC(=O)OCCc1ccccc1
EC Number:
276-796-0
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.209g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.431g/mol
Monoisotopic Mass:
288.209g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
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