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213597-62-7 | 7H-Pyrano[3,4-c]isoxazole,4,5-dihydro-7-(1-methylethyl)-(9CI)
CAS No: 213597-62-7 Catalog No: AG00BTNQ MDL No:
Product Description
Catalog Number:
AG00BTNQ
Chemical Name:
7H-Pyrano[3,4-c]isoxazole,4,5-dihydro-7-(1-methylethyl)-(9CI)
CAS Number:
213597-62-7
IUPAC Name:
7-propan-2-yl-5,7-dihydro-4H-pyrano[3,4-c][1,2]oxazole
InChI:
InChI=1S/C9H13NO2/c1-6(2)9-8-7(3-4-11-9)5-12-10-8/h5-6,9H,3-4H2,1-2H3
InChI Key:
PTYUSEGJLWQUSN-UHFFFAOYSA-N
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.095g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.208g/mol
Monoisotopic Mass:
167.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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