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114915-50-3 | 1H-Indene-1,3(2H)-dione, 2-(methoxymethylene)-
CAS No: 114915-50-3 Catalog No: AG000FFT MDL No:
Product Description
Catalog Number:
AG000FFT
Chemical Name:
1H-Indene-1,3(2H)-dione, 2-(methoxymethylene)-
CAS Number:
114915-50-3
Molecular Formula:
C11H8O3
Molecular Weight:
188.1794
IUPAC Name:
2-(methoxymethylidene)indene-1,3-dione
InChI:
InChI=1S/C11H8O3/c1-14-6-9-10(12)7-4-2-3-5-8(7)11(9)13/h2-6H,1H3
InChI Key:
RKVAMEKVWDCOPJ-UHFFFAOYSA-N
SMILES:
COC=C1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.047g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.182g/mol
Monoisotopic Mass:
188.047g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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