200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 87998-12-7
87998-12-7 | 1,6-Heptadien-4-ol, 4-[3-(methylthio)propyl]-
CAS No: 87998-12-7 Catalog No: AG004NYK MDL No:
Product Description
Catalog Number:
AG004NYK
Chemical Name:
1,6-Heptadien-4-ol, 4-[3-(methylthio)propyl]-
CAS Number:
87998-12-7
Molecular Formula:
C11H20OS
Molecular Weight:
200.3409
IUPAC Name:
4-(3-methylsulfanylpropyl)hepta-1,6-dien-4-ol
InChI:
InChI=1S/C11H20OS/c1-4-7-11(12,8-5-2)9-6-10-13-3/h4-5,12H,1-2,6-10H2,3H3
InChI Key:
BWLJODREBDTBPV-UHFFFAOYSA-N
SMILES:
CSCCCC(CC=C)(CC=C)O
Properties
Complexity:
144
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.123g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
200.34g/mol
Monoisotopic Mass:
200.123g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.