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89267-96-9 | 3H-Pyrrole, 2-methoxy-
CAS No: 89267-96-9 Catalog No: AG0041QB MDL No:
Product Description
Catalog Number:
AG0041QB
Chemical Name:
3H-Pyrrole, 2-methoxy-
CAS Number:
89267-96-9
Molecular Formula:
C5H7NO
Molecular Weight:
97.1152
IUPAC Name:
2-methoxy-3H-pyrrole
InChI:
InChI=1S/C5H7NO/c1-7-5-3-2-4-6-5/h2,4H,3H2,1H3
InChI Key:
WBLXQVQJSPSOLB-UHFFFAOYSA-N
SMILES:
COC1=NC=CC1
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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