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Home > Nitro Compounds > 30549-14-5
30549-14-5 | Thiophene, 2-methoxy-3-nitro-
CAS No: 30549-14-5 Catalog No: AG0030I6 MDL No:MFCD16622266
Product Description
Catalog Number:
AG0030I6
Chemical Name:
Thiophene, 2-methoxy-3-nitro-
CAS Number:
30549-14-5
Molecular Formula:
C5H5NO3S
Molecular Weight:
159.1631
MDL Number:
MFCD16622266
IUPAC Name:
2-methoxy-3-nitrothiophene
InChI:
InChI=1S/C5H5NO3S/c1-9-5-4(6(7)8)2-3-10-5/h2-3H,1H3
InChI Key:
DMCGGXGEVDUVNE-UHFFFAOYSA-N
SMILES:
COc1sccc1[N+](=O)[O-]
Properties
Complexity:
135
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.999g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
159.159g/mol
Monoisotopic Mass:
158.999g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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