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88928-53-4 | 2(3H)-Furanone, 5-(1,1-dimethylethoxy)dihydro-5-methyl-
CAS No: 88928-53-4 Catalog No: AG00487T MDL No:
Product Description
Catalog Number:
AG00487T
Chemical Name:
2(3H)-Furanone, 5-(1,1-dimethylethoxy)dihydro-5-methyl-
CAS Number:
88928-53-4
Molecular Formula:
C9H16O3
Molecular Weight:
172.2215
IUPAC Name:
5-methyl-5-[(2-methylpropan-2-yl)oxy]oxolan-2-one
InChI:
InChI=1S/C9H16O3/c1-8(2,3)12-9(4)6-5-7(10)11-9/h5-6H2,1-4H3
InChI Key:
XEKPOGNMEQDQCJ-UHFFFAOYSA-N
SMILES:
CC(OC1(C)CCC(=O)O1)(C)C
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.11g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.224g/mol
Monoisotopic Mass:
172.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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