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89722-19-0 | 2(3H)-Furanone, dihydro-4,4-dimethyl-5-(2-oxopropyl)-
CAS No: 89722-19-0 Catalog No: AG0042G1 MDL No:
Product Description
Catalog Number:
AG0042G1
Chemical Name:
2(3H)-Furanone, dihydro-4,4-dimethyl-5-(2-oxopropyl)-
CAS Number:
89722-19-0
Molecular Formula:
C9H14O3
Molecular Weight:
170.2057
IUPAC Name:
4,4-dimethyl-5-(2-oxopropyl)oxolan-2-one
InChI:
InChI=1S/C9H14O3/c1-6(10)4-7-9(2,3)5-8(11)12-7/h7H,4-5H2,1-3H3
InChI Key:
DOACBFJRVJJDMN-UHFFFAOYSA-N
SMILES:
CC(=O)CC1OC(=O)CC1(C)C
Properties
Complexity:
218
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:
43.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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