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113563-13-6 | 7,12,14-Hexadecatrien-10-ynal
CAS No: 113563-13-6 Catalog No: AG00090W MDL No:
Product Description
Catalog Number:
AG00090W
Chemical Name:
7,12,14-Hexadecatrien-10-ynal
CAS Number:
113563-13-6
Molecular Formula:
C16H22O
Molecular Weight:
230.3453
IUPAC Name:
hexadeca-7,12,14-trien-10-ynal
InChI:
InChI=1S/C16H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-5,9-10,16H,8,11-15H2,1H3
InChI Key:
CYFYPHAGTPJDOI-UHFFFAOYSA-N
SMILES:
O=CCCCCCC=CCC#CC=CC=CC
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.167g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.351g/mol
Monoisotopic Mass:
230.167g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
3
XLogP3:
4.4
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