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28590-30-9 | 2-Oxiranedodecanoic acid, 3-octyl-
CAS No: 28590-30-9 Catalog No: AG002VRI MDL No:
Product Description
Catalog Number:
AG002VRI
Chemical Name:
2-Oxiranedodecanoic acid, 3-octyl-
CAS Number:
28590-30-9
Molecular Formula:
C22H42O3
Molecular Weight:
354.5671
IUPAC Name:
12-(3-octyloxiran-2-yl)dodecanoic acid
InChI:
InChI=1S/C22H42O3/c1-2-3-4-5-11-14-17-20-21(25-20)18-15-12-9-7-6-8-10-13-16-19-22(23)24/h20-21H,2-19H2,1H3,(H,23,24)
InChI Key:
NSYDMBURIUSUDH-UHFFFAOYSA-N
SMILES:
CCCCCCCCC1OC1CCCCCCCCCCCC(=O)O
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.313g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
354.575g/mol
Monoisotopic Mass:
354.313g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
8.3
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