200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 3075-89-6
3075-89-6 | 2-Thiiraneoctanoic acid, 3-octyl-
CAS No: 3075-89-6 Catalog No: AG00315D MDL No:
Product Description
Catalog Number:
AG00315D
Chemical Name:
2-Thiiraneoctanoic acid, 3-octyl-
CAS Number:
3075-89-6
Molecular Formula:
C18H34O2S
Molecular Weight:
314.5264
IUPAC Name:
8-(3-octylthiiran-2-yl)octanoic acid
InChI:
InChI=1S/C18H34O2S/c1-2-3-4-5-7-10-13-16-17(21-16)14-11-8-6-9-12-15-18(19)20/h16-17H,2-15H2,1H3,(H,19,20)
InChI Key:
DHJUGHFMUPDPHT-UHFFFAOYSA-N
SMILES:
CCCCCCCCC1SC1CCCCCCCC(=O)O
NSC Number:
189697
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.228g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
314.528g/mol
Monoisotopic Mass:
314.228g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
6.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.