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101855-18-9 | 4H-Naphth[1,2-d][1,3]oxazin-4-one, 2-methyl-
CAS No: 101855-18-9 Catalog No: AG0005R8 MDL No:
Product Description
Catalog Number:
AG0005R8
Chemical Name:
4H-Naphth[1,2-d][1,3]oxazin-4-one, 2-methyl-
CAS Number:
101855-18-9
Molecular Formula:
C13H9NO2
Molecular Weight:
211.2161
IUPAC Name:
2-methylbenzo[h][3,1]benzoxazin-4-one
InChI:
InChI=1S/C13H9NO2/c1-8-14-12-10-5-3-2-4-9(10)6-7-11(12)13(15)16-8/h2-7H,1H3
InChI Key:
BLQMGWCQDAJNGK-UHFFFAOYSA-N
SMILES:
Cc1oc(=O)c2c(n1)c1ccccc1cc2
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.063g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.22g/mol
Monoisotopic Mass:
211.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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