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69868-08-2 | Heptadecanoic acid,2-ethyl-
CAS No: 69868-08-2 Catalog No: AG005HB6 MDL No:
Product Description
Catalog Number:
AG005HB6
Chemical Name:
Heptadecanoic acid,2-ethyl-
CAS Number:
69868-08-2
Molecular Formula:
C19H38O2
Molecular Weight:
298.5038
IUPAC Name:
2-ethylheptadecanoic acid
InChI:
InChI=1S/C19H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(4-2)19(20)21/h18H,3-17H2,1-2H3,(H,20,21)
InChI Key:
GLPAVTPSAJIFMB-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCC(C(=O)O)CC
EC Number:
274-170-1
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.287g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
298.511g/mol
Monoisotopic Mass:
298.287g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
8.6
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