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170312-27-3 | 7H-Isoxazolo[5,4-b]azepin-7-one,4,5,6,8-tetrahydro-3-methyl-(9CI)
CAS No: 170312-27-3 Catalog No: AG00B9XW MDL No:
Product Description
Catalog Number:
AG00B9XW
Chemical Name:
7H-Isoxazolo[5,4-b]azepin-7-one,4,5,6,8-tetrahydro-3-methyl-(9CI)
CAS Number:
170312-27-3
IUPAC Name:
3-methyl-4,5,6,8-tetrahydro-[1,2]oxazolo[5,4-b]azepin-7-one
InChI:
InChI=1S/C8H10N2O2/c1-5-6-3-2-4-7(11)9-8(6)12-10-5/h2-4H2,1H3,(H,9,11)
InChI Key:
KDWDDSZYSFYQHZ-UHFFFAOYSA-N
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.074g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
166.18g/mol
Monoisotopic Mass:
166.074g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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