200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 309716-28-7
309716-28-7 | 1-Octen-7-yne-3,5-diol, 4-methyl-, (3R,4S,5S)-
CAS No: 309716-28-7 Catalog No: AG0031ST MDL No:
Product Description
Catalog Number:
AG0031ST
Chemical Name:
1-Octen-7-yne-3,5-diol, 4-methyl-, (3R,4S,5S)-
CAS Number:
309716-28-7
Molecular Formula:
C9H14O2
Molecular Weight:
154.2063
IUPAC Name:
(3R,4S,5S)-4-methyloct-1-en-7-yne-3,5-diol
InChI:
InChI=1S/C9H14O2/c1-4-6-9(11)7(3)8(10)5-2/h1,5,7-11H,2,6H2,3H3/t7-,8-,9+/m1/s1
InChI Key:
QJLPSSSPXITMCC-HLTSFMKQSA-N
SMILES:
C#CC[C@@H]([C@@H]([C@@H](C=C)O)C)O
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
154.099g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
154.209g/mol
Monoisotopic Mass:
154.099g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.