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113768-06-2 | 3-Tridecen-5-ol, 1-phenyl-, (3E)-
CAS No: 113768-06-2 Catalog No: AG0009M2 MDL No:
Product Description
Catalog Number:
AG0009M2
Chemical Name:
3-Tridecen-5-ol, 1-phenyl-, (3E)-
CAS Number:
113768-06-2
Molecular Formula:
C19H30O
Molecular Weight:
274.4409
IUPAC Name:
1-phenyltridec-3-en-5-ol
InChI:
InChI=1S/C19H30O/c1-2-3-4-5-6-10-16-19(20)17-12-11-15-18-13-8-7-9-14-18/h7-9,12-14,17,19-20H,2-6,10-11,15-16H2,1H3
InChI Key:
RBZHSHAQXGDMHC-UHFFFAOYSA-N
SMILES:
CCCCCCCCC(/C=C/CCc1ccccc1)O
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.23g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
274.448g/mol
Monoisotopic Mass:
274.23g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
6.3
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