200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 113509-50-5
113509-50-5 | 2H-Pyran-3(6H)-one, 2-(1,1-dimethylethyl)-6-hydroxy-
CAS No: 113509-50-5 Catalog No: AG0008UL MDL No:
Product Description
Catalog Number:
AG0008UL
Chemical Name:
2H-Pyran-3(6H)-one, 2-(1,1-dimethylethyl)-6-hydroxy-
CAS Number:
113509-50-5
Molecular Formula:
C9H14O3
Molecular Weight:
170.2057
IUPAC Name:
6-tert-butyl-2-hydroxy-2H-pyran-5-one
InChI:
InChI=1S/C9H14O3/c1-9(2,3)8-6(10)4-5-7(11)12-8/h4-5,7-8,11H,1-3H3
InChI Key:
IKHVNTHWPYPUBD-UHFFFAOYSA-N
SMILES:
OC1C=CC(=O)C(O1)C(C)(C)C
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.094g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
170.208g/mol
Monoisotopic Mass:
170.094g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.