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250-38-4 | 1H-Furo[3,4-b]pyrrole (8CI,9CI)
CAS No: 250-38-4 Catalog No: AG002Q5A MDL No:
Product Description
Catalog Number:
AG002Q5A
Chemical Name:
1H-Furo[3,4-b]pyrrole (8CI,9CI)
CAS Number:
250-38-4
Molecular Formula:
C6H5NO
Molecular Weight:
107.1100
IUPAC Name:
1H-furo[3,4-b]pyrrole
InChI:
InChI=1S/C6H5NO/c1-2-7-6-4-8-3-5(1)6/h1-4,7H
InChI Key:
QMRGYLXQIVLGHR-UHFFFAOYSA-N
SMILES:
o1cc2c(c1)cc[nH]2
Properties
Complexity:
94.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
107.037g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
107.112g/mol
Monoisotopic Mass:
107.037g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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