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88358-48-9 | 3,5-Nonanedione, 2-methyl-
CAS No: 88358-48-9 Catalog No: AG004J4B MDL No:
Product Description
Catalog Number:
AG004J4B
Chemical Name:
3,5-Nonanedione, 2-methyl-
CAS Number:
88358-48-9
Molecular Formula:
C10H18O2
Molecular Weight:
170.2487
IUPAC Name:
2-methylnonane-3,5-dione
InChI:
InChI=1S/C10H18O2/c1-4-5-6-9(11)7-10(12)8(2)3/h8H,4-7H2,1-3H3
InChI Key:
YMTUFCRTXIPJPG-UHFFFAOYSA-N
SMILES:
CCCCC(=O)CC(=O)C(C)C
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.131g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.252g/mol
Monoisotopic Mass:
170.131g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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