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90238-01-0 | 4H-Oxazolo[5,4-b]azepine, 4-acetyl-5,6-dihydro-2-methyl-
CAS No: 90238-01-0 Catalog No: AG00H6I1 MDL No:
Product Description
Catalog Number:
AG00H6I1
Chemical Name:
4H-Oxazolo[5,4-b]azepine, 4-acetyl-5,6-dihydro-2-methyl-
CAS Number:
90238-01-0
Molecular Formula:
C10H12N2O2
Molecular Weight:
192.2145
IUPAC Name:
1-(2-methyl-5,6-dihydro-[1,3]oxazolo[5,4-b]azepin-4-yl)ethanone
InChI:
InChI=1S/C10H12N2O2/c1-7-11-9-5-3-4-6-12(8(2)13)10(9)14-7/h3,5H,4,6H2,1-2H3
InChI Key:
JKSSMLCNXRLJTR-UHFFFAOYSA-N
SMILES:
CC(=O)N1CCC=Cc2c1oc(n2)C
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.09g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.218g/mol
Monoisotopic Mass:
192.09g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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