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17104-27-7 | 5-METHYL-7,8-DIHYDRO-[1,3]DIOXOLO[4,5-G]ISOQUINOLINE
CAS No: 17104-27-7 Catalog No: AG003MVS MDL No:MFCD08166716
Product Description
Catalog Number:
AG003MVS
Chemical Name:
5-METHYL-7,8-DIHYDRO-[1,3]DIOXOLO[4,5-G]ISOQUINOLINE
CAS Number:
17104-27-7
Molecular Formula:
C11H11NO2
Molecular Weight:
189.2105
MDL Number:
MFCD08166716
IUPAC Name:
5-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline
InChI:
InChI=1S/C11H11NO2/c1-7-9-5-11-10(13-6-14-11)4-8(9)2-3-12-7/h4-5H,2-3,6H2,1H3
InChI Key:
YLUYJLOJLQVWPT-UHFFFAOYSA-N
SMILES:
CC1=NCCc2c1cc1OCOc1c2
NSC Number:
279545
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.214g/mol
Monoisotopic Mass:
189.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
30.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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