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140431-39-6 | Naphtho[1,2-c]furan-1,3-dione, 3a,4,5,9b-tetrahydro-5-methyl-
CAS No: 140431-39-6 Catalog No: AG001CFN MDL No:
Product Description
Catalog Number:
AG001CFN
Chemical Name:
Naphtho[1,2-c]furan-1,3-dione, 3a,4,5,9b-tetrahydro-5-methyl-
CAS Number:
140431-39-6
Molecular Formula:
C13H12O3
Molecular Weight:
216.2326
IUPAC Name:
5-methyl-3a,4,5,9b-tetrahydrobenzo[e][2]benzofuran-1,3-dione
InChI:
InChI=1S/C13H12O3/c1-7-6-10-11(13(15)16-12(10)14)9-5-3-2-4-8(7)9/h2-5,7,10-11H,6H2,1H3
InChI Key:
UBTVPQQWEOCGFM-UHFFFAOYSA-N
SMILES:
O=C1OC(=O)C2C1c1ccccc1C(C2)C
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.079g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.236g/mol
Monoisotopic Mass:
216.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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