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5488-36-8 | 4,4-dimethyl-1,2,3,4-tetrahydroisoquinoline-1,3-dione
CAS No: 5488-36-8 Catalog No: AG00VUE0 MDL No:MFCD00666096
Product Description
Catalog Number:
AG00VUE0
Chemical Name:
4,4-dimethyl-1,2,3,4-tetrahydroisoquinoline-1,3-dione
CAS Number:
5488-36-8
Molecular Formula:
C11H11NO2
Molecular Weight:
189.2105
MDL Number:
MFCD00666096
IUPAC Name:
4,4-dimethylisoquinoline-1,3-dione
InChI:
InChI=1S/C11H11NO2/c1-11(2)8-6-4-3-5-7(8)9(13)12-10(11)14/h3-6H,1-2H3,(H,12,13,14)
InChI Key:
VSRVOIDBBCKMTM-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)c2c(C1(C)C)cccc2
UNII:
AZF5LQ3WQT
NSC Number:
358677
Properties
Complexity:
283
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:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
189.214g/mol
Monoisotopic Mass:
189.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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