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72242-66-1 | 2,5-Furandione, dihydro-3-(2,4,4-trimethyl-2-pentenyl)-
CAS No: 72242-66-1 Catalog No: AG005J3L MDL No:
Product Description
Catalog Number:
AG005J3L
Chemical Name:
2,5-Furandione, dihydro-3-(2,4,4-trimethyl-2-pentenyl)-
CAS Number:
72242-66-1
Molecular Formula:
C12H18O3
Molecular Weight:
210.2695
IUPAC Name:
3-(2,4,4-trimethylpent-2-enyl)oxolane-2,5-dione
InChI:
InChI=1S/C12H18O3/c1-8(7-12(2,3)4)5-9-6-10(13)15-11(9)14/h7,9H,5-6H2,1-4H3
InChI Key:
TVRJIXCIWRQYNL-UHFFFAOYSA-N
SMILES:
CC(=CC(C)(C)C)CC1CC(=O)OC1=O
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.126g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.273g/mol
Monoisotopic Mass:
210.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
2.8
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