200,000+ products from a single source!
sales@angenechem.com
139590-77-5 | 2-Cyclohexene-1-propanol, 1-methyl-2-[(4-methylphenyl)thio]-, 1-acetate
CAS No: 139590-77-5 Catalog No: AG001BCF MDL No:
Product Description
Catalog Number:
AG001BCF
Chemical Name:
2-Cyclohexene-1-propanol, 1-methyl-2-[(4-methylphenyl)thio]-, 1-acetate
CAS Number:
139590-77-5
Molecular Formula:
C19H26O2S
Molecular Weight:
318.4735
IUPAC Name:
acetic acid;3-[1-methyl-2-(4-methylphenyl)sulfanylcyclohex-2-en-1-yl]propan-1-ol
InChI:
InChI=1S/C17H24OS.C2H4O2/c1-14-7-9-15(10-8-14)19-16-6-3-4-11-17(16,2)12-5-13-18;1-2(3)4/h6-10,18H,3-5,11-13H2,1-2H3;1H3,(H,3,4)
InChI Key:
OLMIVFBQPJNGIS-UHFFFAOYSA-N
SMILES:
CC(=O)OCCCC1(C)CCCC=C1Sc1ccc(cc1)C
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.176g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
336.49g/mol
Monoisotopic Mass:
336.176g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
82.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Related Products
© 2019 Angene International Limited. All rights Reserved.