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1013-11-2 | 2H-Furo[3,4-b]pyran-4,7(3H,5H)-dione, 2,2,5-trimethyl-
CAS No: 1013-11-2 Catalog No: AG000467 MDL No:
Product Description
Catalog Number:
AG000467
Chemical Name:
2H-Furo[3,4-b]pyran-4,7(3H,5H)-dione, 2,2,5-trimethyl-
CAS Number:
1013-11-2
Molecular Formula:
C10H12O4
Molecular Weight:
196.1999
IUPAC Name:
2,2,5-trimethyl-3,5-dihydrofuro[3,4-b]pyran-4,7-dione
InChI:
InChI=1S/C10H12O4/c1-5-7-6(11)4-10(2,3)14-8(7)9(12)13-5/h5H,4H2,1-3H3
InChI Key:
LTAPDSGQJXHWON-UHFFFAOYSA-N
SMILES:
CC1OC(=O)C2=C1C(=O)CC(O2)(C)C
NSC Number:
13574
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.074g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.202g/mol
Monoisotopic Mass:
196.074g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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