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139035-08-8 | 1,4,6(5H)-Naphthalenetrione, 8-(2-furanyl)-7,8-dihydro-, (S)- (9CI)
CAS No: 139035-08-8 Catalog No: AG001A2E MDL No:
Product Description
Catalog Number:
AG001A2E
Chemical Name:
1,4,6(5H)-Naphthalenetrione, 8-(2-furanyl)-7,8-dihydro-, (S)- (9CI)
CAS Number:
139035-08-8
Molecular Formula:
C14H10O4
Molecular Weight:
242.2268
IUPAC Name:
8-(furan-2-yl)-7,8-dihydro-5H-naphthalene-1,4,6-trione
InChI:
InChI=1S/C14H10O4/c15-8-6-9-11(16)3-4-12(17)14(9)10(7-8)13-2-1-5-18-13/h1-5,10H,6-7H2
InChI Key:
ZFZWGGFRYHDMMI-UHFFFAOYSA-N
SMILES:
O=C1C[C@H](c2ccco2)C2=C(C1)C(=O)C=CC2=O
Properties
Complexity:
498
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.058g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.23g/mol
Monoisotopic Mass:
242.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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