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87700-47-8 | Cyclobuta[c]quinolin-3(1H)-one, 2,4-dihydro-2,4-dimethyl-
CAS No: 87700-47-8 Catalog No: AG004GL8 MDL No:
Product Description
Catalog Number:
AG004GL8
Chemical Name:
Cyclobuta[c]quinolin-3(1H)-one, 2,4-dihydro-2,4-dimethyl-
CAS Number:
87700-47-8
Molecular Formula:
C13H13NO
Molecular Weight:
199.2484
IUPAC Name:
2,4-dimethyl-1,2-dihydrocyclobuta[c]quinolin-3-one
InChI:
InChI=1S/C13H13NO/c1-8-7-10-9-5-3-4-6-11(9)14(2)13(15)12(8)10/h3-6,8H,7H2,1-2H3
InChI Key:
VCRWJZWLPVSEPY-UHFFFAOYSA-N
SMILES:
CC1Cc2c1c(=O)n(c1c2cccc1)C
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.1g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.253g/mol
Monoisotopic Mass:
199.1g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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