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163597-63-5 | 5H-1,3-Dioxolo[4,5-g][2]benzopyran-5-one, 7-propyl-
CAS No: 163597-63-5 Catalog No: AG001U8V MDL No:
Product Description
Catalog Number:
AG001U8V
Chemical Name:
5H-1,3-Dioxolo[4,5-g][2]benzopyran-5-one, 7-propyl-
CAS Number:
163597-63-5
Molecular Formula:
C13H12O4
Molecular Weight:
232.2320
IUPAC Name:
7-propyl-[1,3]dioxolo[4,5-g]isochromen-5-one
InChI:
InChI=1S/C13H12O4/c1-2-3-9-4-8-5-11-12(16-7-15-11)6-10(8)13(14)17-9/h4-6H,2-3,7H2,1H3
InChI Key:
UQMOOBFMUJITLL-UHFFFAOYSA-N
SMILES:
CCCc1cc2cc3OCOc3cc2c(=O)o1
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.074g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.235g/mol
Monoisotopic Mass:
232.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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