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86214-25-7 | Octanedial, 2,7-dimethyl-
CAS No: 86214-25-7 Catalog No: AG004SQB MDL No:
Product Description
Catalog Number:
AG004SQB
Chemical Name:
Octanedial, 2,7-dimethyl-
CAS Number:
86214-25-7
Molecular Formula:
C10H18O2
Molecular Weight:
170.2487
IUPAC Name:
2,7-dimethyloctanedial
InChI:
InChI=1S/C10H18O2/c1-9(7-11)5-3-4-6-10(2)8-12/h7-10H,3-6H2,1-2H3
InChI Key:
NWJVJJOGDRBHRF-UHFFFAOYSA-N
SMILES:
O=CC(CCCCC(C=O)C)C
Properties
Complexity:
116
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:
7
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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