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168810-78-4 | 4,7-Methano-1H-pyrrolo[1,2-c][1,3]oxazine (9CI)
CAS No: 168810-78-4 Catalog No: AG001YBL MDL No:
Product Description
Catalog Number:
AG001YBL
Chemical Name:
4,7-Methano-1H-pyrrolo[1,2-c][1,3]oxazine (9CI)
CAS Number:
168810-78-4
Molecular Formula:
C8H7NO
Molecular Weight:
133.1473
IUPAC Name:
4-oxa-2-azatricyclo[4.4.0.02,8]deca-1(10),5,8-triene
InChI:
InChI=1S/C8H7NO/c1-2-8-6-3-7(1)9(8)5-10-4-6/h1-2,4H,3,5H2
InChI Key:
CCLCHEIMOAXJAY-UHFFFAOYSA-N
SMILES:
O1C=C2Cc3n(C1)c2cc3
Properties
Complexity:
199
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:
0.6
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