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142178-72-1 | Nonacosanoic acid, 27-methyl-
CAS No: 142178-72-1 Catalog No: AG001HX7 MDL No:
Product Description
Catalog Number:
AG001HX7
Chemical Name:
Nonacosanoic acid, 27-methyl-
CAS Number:
142178-72-1
Molecular Formula:
C30H60O2
Molecular Weight:
452.7962
IUPAC Name:
27-methylnonacosanoic acid
InChI:
InChI=1S/C30H60O2/c1-3-29(2)27-25-23-21-19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20-22-24-26-28-30(31)32/h29H,3-28H2,1-2H3,(H,31,32)
InChI Key:
MUPQJTNURHWHBR-UHFFFAOYSA-N
SMILES:
CCC(CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O)C
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
452.459g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
452.808g/mol
Monoisotopic Mass:
452.459g/mol
Rotatable Bond Count:
27
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
14.4
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