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101500-64-5 | Furo[3'',4'':3',4']cyclobuta[1',2':3,4]cyclobut[1,2-d]isoxazole (9CI)
CAS No: 101500-64-5 Catalog No: AG0004NR MDL No:
Product Description
Catalog Number:
AG0004NR
Chemical Name:
Furo[3'',4'':3',4']cyclobuta[1',2':3,4]cyclobut[1,2-d]isoxazole (9CI)
CAS Number:
101500-64-5
Molecular Formula:
C9H3NO2
Molecular Weight:
157.1256
IUPAC Name:
3,10-dioxa-4-azatetracyclo[5.5.0.02,6.08,12]dodeca-1(7),2(6),4,8,11-pentaene
InChI:
InChI=1S/C9H3NO2/c1-4-7-5-2-11-3-6(5)8(7)9(4)12-10-1/h1-3H
InChI Key:
BBVWNILTFBUDHL-UHFFFAOYSA-N
SMILES:
o1cc2c(c1)c1=c2c2c1cno2
Properties
Complexity:
286
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:
-1
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