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6539-13-5 | Spiro[1,3-dioxolane-2,5'(1'H)-quinolin]-2'(3'H)-one
CAS No: 6539-13-5 Catalog No: AG006ROZ MDL No:
Product Description
Catalog Number:
AG006ROZ
Chemical Name:
Spiro[1,3-dioxolane-2,5'(1'H)-quinolin]-2'(3'H)-one
CAS Number:
6539-13-5
Molecular Formula:
C11H11NO3
Molecular Weight:
205.2099
IUPAC Name:
spiro[1,3-dihydroquinoline-5,2'-1,3-dioxolane]-2-one
InChI:
InChI=1S/C11H11NO3/c13-10-4-3-8-9(12-10)2-1-5-11(8)14-6-7-15-11/h1-3,5H,4,6-7H2,(H,12,13)
InChI Key:
UOVHNJWDGAIWJR-UHFFFAOYSA-N
SMILES:
O=C1CC=C2C(=CC=CC32OCCO3)N1
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.074g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.213g/mol
Monoisotopic Mass:
205.074g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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