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204389-09-3 | 1H,3H-Cyclobuta[3,4]pyrrolo[1,2-c]oxazole (9CI)
CAS No: 204389-09-3 Catalog No: AG0029GK MDL No:MFCD28957708
Product Description
Catalog Number:
AG0029GK
Chemical Name:
1H,3H-Cyclobuta[3,4]pyrrolo[1,2-c]oxazole (9CI)
CAS Number:
204389-09-3
Molecular Formula:
C8H7NO
Molecular Weight:
133.1473
MDL Number:
MFCD28957708
IUPAC Name:
9-oxa-7-azatricyclo[5.3.0.02,5]deca-1,3,5-triene
InChI:
InChI=1S/C8H7NO/c1-2-7-6(1)3-9-5-10-4-8(7)9/h1-3H,4-5H2
InChI Key:
CZBSUHOFJMLPKW-UHFFFAOYSA-N
SMILES:
O1Cn2c(C1)c1c(c2)C=C1
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
133.053g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
133.15g/mol
Monoisotopic Mass:
133.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
14.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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