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129896-39-5 | 1-Hexadecen-4-one, 3-methyl-
CAS No: 129896-39-5 Catalog No: AG000TRO MDL No:
Product Description
Catalog Number:
AG000TRO
Chemical Name:
1-Hexadecen-4-one, 3-methyl-
CAS Number:
129896-39-5
Molecular Formula:
C17H32O
Molecular Weight:
252.4354
IUPAC Name:
3-methylhexadec-1-en-4-one
InChI:
InChI=1S/C17H32O/c1-4-6-7-8-9-10-11-12-13-14-15-17(18)16(3)5-2/h5,16H,2,4,6-15H2,1,3H3
InChI Key:
WOIDERHMELGFPO-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCC(=O)C(C=C)C
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.245g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.442g/mol
Monoisotopic Mass:
252.245g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
7
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