200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 114640-25-4
114640-25-4 | 4,6-Decadiyn-3-one, 1,8-dihydroxy-, (S)- (9CI)
CAS No: 114640-25-4 Catalog No: AG000EWT MDL No:
Product Description
Catalog Number:
AG000EWT
Chemical Name:
4,6-Decadiyn-3-one, 1,8-dihydroxy-, (S)- (9CI)
CAS Number:
114640-25-4
Molecular Formula:
C10H12O3
Molecular Weight:
180.2005
IUPAC Name:
1,8-dihydroxydeca-4,6-diyn-3-one
InChI:
InChI=1S/C10H12O3/c1-2-9(12)5-3-4-6-10(13)7-8-11/h9,11-12H,2,7-8H2,1H3
InChI Key:
QZASPBLUOUWUAA-UHFFFAOYSA-N
SMILES:
OCCC(=O)C#CC#C[C@H](CC)O
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
180.203g/mol
Monoisotopic Mass:
180.079g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.