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88068-38-6 | 4-Tridecen-3-one, 5-methyl-
CAS No: 88068-38-6 Catalog No: AG004HXD MDL No:
Product Description
Catalog Number:
AG004HXD
Chemical Name:
4-Tridecen-3-one, 5-methyl-
CAS Number:
88068-38-6
Molecular Formula:
C14H26O
Molecular Weight:
210.3556
IUPAC Name:
5-methyltridec-4-en-3-one
InChI:
InChI=1S/C14H26O/c1-4-6-7-8-9-10-11-13(3)12-14(15)5-2/h12H,4-11H2,1-3H3
InChI Key:
YPGOLFGKSZABJJ-UHFFFAOYSA-N
SMILES:
CCCCCCCCC(=CC(=O)CC)C
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.198g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.361g/mol
Monoisotopic Mass:
210.198g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.5
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