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78238-13-8 | Methyl 3-methoxy-5-nitrobenzoate
CAS No: 78238-13-8 Catalog No: AG0054B2 MDL No:MFCD00157207
Product Description
Catalog Number:
AG0054B2
Chemical Name:
Methyl 3-methoxy-5-nitrobenzoate
CAS Number:
78238-13-8
Molecular Formula:
C9H9NO5
Molecular Weight:
211.1715
MDL Number:
MFCD00157207
IUPAC Name:
methyl 3-methoxy-5-nitrobenzoate
InChI:
InChI=1S/C9H9NO5/c1-14-8-4-6(9(11)15-2)3-7(5-8)10(12)13/h3-5H,1-2H3
InChI Key:
OSTVXCVLGHROLX-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1)[N+](=O)[O-])C(=O)OC
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.048g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.173g/mol
Monoisotopic Mass:
211.048g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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