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89267-95-8 | 2H-Pyrrole, 5-methoxy-
CAS No: 89267-95-8 Catalog No: AG0041CO MDL No:
Product Description
Catalog Number:
AG0041CO
Chemical Name:
2H-Pyrrole, 5-methoxy-
CAS Number:
89267-95-8
Molecular Formula:
C5H7NO
Molecular Weight:
97.1152
IUPAC Name:
5-methoxy-2H-pyrrole
InChI:
InChI=1S/C5H7NO/c1-7-5-3-2-4-6-5/h2-3H,4H2,1H3
InChI Key:
HHXRZYWZYZBAPQ-UHFFFAOYSA-N
SMILES:
COC1=NCC=C1
Properties
Complexity:
115
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
97.053g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
97.117g/mol
Monoisotopic Mass:
97.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
21.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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