200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 102613-00-3
102613-00-3 | Undecanoic acid, 11-[(1-methylethyl)thio]-
CAS No: 102613-00-3 Catalog No: AG0007XF MDL No:
Product Description
Catalog Number:
AG0007XF
Chemical Name:
Undecanoic acid, 11-[(1-methylethyl)thio]-
CAS Number:
102613-00-3
Molecular Formula:
C14H28O2S
Molecular Weight:
260.4359
IUPAC Name:
11-propan-2-ylsulfanylundecanoic acid
InChI:
InChI=1S/C14H28O2S/c1-13(2)17-12-10-8-6-4-3-5-7-9-11-14(15)16/h13H,3-12H2,1-2H3,(H,15,16)
InChI Key:
PKEPWUXLPFTMSN-UHFFFAOYSA-N
SMILES:
CC(SCCCCCCCCCCC(=O)O)C
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.181g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
260.436g/mol
Monoisotopic Mass:
260.181g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.