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Home > Indoles and Oxindole > 1008999-03-8
1008999-03-8 | 4,5-dimethyl-1'-(2-oxooxolan-3-yl)-1',2'-dihydrospiro[1,3-dioxolane-2,3'-indole]-2'-one
CAS No: 1008999-03-8 Catalog No: AG00IX12 MDL No:MFCD05669292
Product Description
Catalog Number:
AG00IX12
Chemical Name:
4,5-dimethyl-1'-(2-oxooxolan-3-yl)-1',2'-dihydrospiro[1,3-dioxolane-2,3'-indole]-2'-one
CAS Number:
1008999-03-8
Molecular Formula:
C16H17NO5
Molecular Weight:
303.3099
MDL Number:
MFCD05669292
IUPAC Name:
4,5-dimethyl-1'-(2-oxooxolan-3-yl)spiro[1,3-dioxolane-2,3'-indole]-2'-one
InChI:
InChI=1S/C16H17NO5/c1-9-10(2)22-16(21-9)11-5-3-4-6-12(11)17(15(16)19)13-7-8-20-14(13)18/h3-6,9-10,13H,7-8H2,1-2H3
InChI Key:
GUNWZWMWZLWNSC-UHFFFAOYSA-N
SMILES:
CC1OC2(OC1C)c1ccccc1N(C2=O)C1CCOC1=O
Properties
Complexity:
497
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.111g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
303.314g/mol
Monoisotopic Mass:
303.111g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
65.1A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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