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71443-31-7 | 2H-Pyran-3(6H)-one, 6-(1,1-dimethylethoxy)-
CAS No: 71443-31-7 Catalog No: AG005IL0 MDL No:
Product Description
Catalog Number:
AG005IL0
Chemical Name:
2H-Pyran-3(6H)-one, 6-(1,1-dimethylethoxy)-
CAS Number:
71443-31-7
Molecular Formula:
C9H14O3
Molecular Weight:
170.2057
IUPAC Name:
2-[(2-methylpropan-2-yl)oxy]-2H-pyran-5-one
InChI:
InChI=1S/C9H14O3/c1-9(2,3)12-8-5-4-7(10)6-11-8/h4-5,8H,6H2,1-3H3
InChI Key:
UGXXCVHAJRWAJA-UHFFFAOYSA-N
SMILES:
CC(OC1OCC(=O)C=C1)(C)C
Properties
Complexity:
200
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:
0
Isotope Atom Count:
0
Molecular Weight:
170.208g/mol
Monoisotopic Mass:
170.094g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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