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1146-71-0 | Cyclopenta[c][1]benzopyran-4(1H)-one, 2,3-dihydro-7,9-dimethoxy-
CAS No: 1146-71-0 Catalog No: AG000ERW MDL No:
Product Description
Catalog Number:
AG000ERW
Chemical Name:
Cyclopenta[c][1]benzopyran-4(1H)-one, 2,3-dihydro-7,9-dimethoxy-
CAS Number:
1146-71-0
Molecular Formula:
C14H14O4
Molecular Weight:
246.2586
IUPAC Name:
7,9-dimethoxy-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
InChI:
InChI=1S/C14H14O4/c1-16-8-6-11(17-2)13-9-4-3-5-10(9)14(15)18-12(13)7-8/h6-7H,3-5H2,1-2H3
InChI Key:
DGLJLGBVHRQILR-UHFFFAOYSA-N
SMILES:
COc1cc(OC)cc2c1c1CCCc1c(=O)o2
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.089g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.262g/mol
Monoisotopic Mass:
246.089g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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