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15689-70-0 | Heptacosane, 9-methyl-
CAS No: 15689-70-0 Catalog No: AG001P28 MDL No:
Product Description
Catalog Number:
AG001P28
Chemical Name:
Heptacosane, 9-methyl-
CAS Number:
15689-70-0
Molecular Formula:
C28H58
Molecular Weight:
394.7601
IUPAC Name:
9-methylheptacosane
InChI:
InChI=1S/C28H58/c1-4-6-8-10-12-13-14-15-16-17-18-19-20-21-23-25-27-28(3)26-24-22-11-9-7-5-2/h28H,4-27H2,1-3H3
InChI Key:
RLCPPUWUVWSWRU-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCC(CCCCCCCC)C
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
394.454g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
394.772g/mol
Monoisotopic Mass:
394.454g/mol
Rotatable Bond Count:
24
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
15.1
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