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100696-90-0 | 2-Dodecen-1-one, 1-phenyl-, (2E)-
CAS No: 100696-90-0 Catalog No: AG0002NC MDL No:
Product Description
Catalog Number:
AG0002NC
Chemical Name:
2-Dodecen-1-one, 1-phenyl-, (2E)-
CAS Number:
100696-90-0
Molecular Formula:
C18H26O
Molecular Weight:
258.3984
IUPAC Name:
1-phenyldodec-2-en-1-one
InChI:
InChI=1S/C18H26O/c1-2-3-4-5-6-7-8-9-13-16-18(19)17-14-11-10-12-15-17/h10-16H,2-9H2,1H3
InChI Key:
IEWUDJPGYMAMKE-UHFFFAOYSA-N
SMILES:
CCCCCCCCC/C=C/C(=O)c1ccccc1
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.198g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.405g/mol
Monoisotopic Mass:
258.198g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
6.7
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