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19919-81-4 | 1H-Inden-1-one, 2,3-dihydro-2,5,6-trimethoxy-
CAS No: 19919-81-4 Catalog No: AG002BYR MDL No:
Product Description
Catalog Number:
AG002BYR
Chemical Name:
1H-Inden-1-one, 2,3-dihydro-2,5,6-trimethoxy-
CAS Number:
19919-81-4
Molecular Formula:
C12H14O4
Molecular Weight:
222.2372
IUPAC Name:
2,5,6-trimethoxy-2,3-dihydroinden-1-one
InChI:
InChI=1S/C12H14O4/c1-14-9-4-7-5-11(16-3)12(13)8(7)6-10(9)15-2/h4,6,11H,5H2,1-3H3
InChI Key:
GLFCBXZUQHGADQ-UHFFFAOYSA-N
SMILES:
COC1Cc2c(C1=O)cc(c(c2)OC)OC
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.089g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.24g/mol
Monoisotopic Mass:
222.089g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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