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85688-18-2 | Triacontane, 9-methyl-
CAS No: 85688-18-2 Catalog No: AG0050HP MDL No:
Product Description
Catalog Number:
AG0050HP
Chemical Name:
Triacontane, 9-methyl-
CAS Number:
85688-18-2
Molecular Formula:
C31H64
Molecular Weight:
436.8399
IUPAC Name:
9-methyltriacontane
InChI:
InChI=1S/C31H64/c1-4-6-8-10-12-13-14-15-16-17-18-19-20-21-22-23-24-26-28-30-31(3)29-27-25-11-9-7-5-2/h31H,4-30H2,1-3H3
InChI Key:
MXKLTXBVJPPEJG-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCCCCC(CCCCCCCC)C
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
436.501g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
436.853g/mol
Monoisotopic Mass:
436.501g/mol
Rotatable Bond Count:
27
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
16.7
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