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66375-61-9 | 4,7-EPOXYBENZO[3,4]CYCLOBUTA[1,2-D]ISOXAZOLE
CAS No: 66375-61-9 Catalog No: AG006MSE MDL No:
Product Description
Catalog Number:
AG006MSE
Chemical Name:
4,7-EPOXYBENZO[3,4]CYCLOBUTA[1,2-D]ISOXAZOLE
CAS Number:
66375-61-9
Molecular Formula:
C9H3NO2
Molecular Weight:
157.1256
IUPAC Name:
4,12-dioxa-5-azatetracyclo[7.2.1.02,8.03,7]dodeca-1,3(7),5,8,10-pentaene
InChI:
InChI=1S/C9H3NO2/c1-2-6-8-7(5(1)11-6)4-3-10-12-9(4)8/h1-3H
InChI Key:
UXTYLTMMPBNSEZ-UHFFFAOYSA-N
SMILES:
n1oc2c(c1)c1c2c2ccc1o2
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.016g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
157.128g/mol
Monoisotopic Mass:
157.016g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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