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Home > Other Heterocycles > 88368-77-8
88368-77-8 | 3-Azabicyclo[4.2.0]octa-1(6),4-dien-2-one, 7-(1-hydroxy-1-methylethyl)-
CAS No: 88368-77-8 Catalog No: AG004MCY MDL No:
Product Description
Catalog Number:
AG004MCY
Chemical Name:
3-Azabicyclo[4.2.0]octa-1(6),4-dien-2-one, 7-(1-hydroxy-1-methylethyl)-
CAS Number:
88368-77-8
Molecular Formula:
C10H13NO2
Molecular Weight:
179.2157
IUPAC Name:
7-(2-hydroxypropan-2-yl)-3-azabicyclo[4.2.0]octa-1(6),4-dien-2-one
InChI:
InChI=1S/C10H13NO2/c1-10(2,13)8-5-7-6(8)3-4-11-9(7)12/h3-4,8,13H,5H2,1-2H3,(H,11,12)
InChI Key:
WFEJYWRIMWMRAJ-UHFFFAOYSA-N
SMILES:
CC(C1Cc2c1cc[nH]c2=O)(O)C
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.095g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
179.219g/mol
Monoisotopic Mass:
179.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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