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141630-38-8 | 2(3H)-Furanone, dihydro-3-methyl-3-(2-methyl-1,3-dioxolan-2-yl)-
CAS No: 141630-38-8 Catalog No: AG001GPP MDL No:
Product Description
Catalog Number:
AG001GPP
Chemical Name:
2(3H)-Furanone, dihydro-3-methyl-3-(2-methyl-1,3-dioxolan-2-yl)-
CAS Number:
141630-38-8
Molecular Formula:
C9H14O4
Molecular Weight:
186.2051
IUPAC Name:
3-methyl-3-(2-methyl-1,3-dioxolan-2-yl)oxolan-2-one
InChI:
InChI=1S/C9H14O4/c1-8(3-4-11-7(8)10)9(2)12-5-6-13-9/h3-6H2,1-2H3
InChI Key:
JPAWJAHWKNOBNV-UHFFFAOYSA-N
SMILES:
O=C1OCCC1(C)C1(C)OCCO1
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.089g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.207g/mol
Monoisotopic Mass:
186.089g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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