Home Nitros 4-Formyl-2-methoxy-3-nitrophenyl acetate

4-Formyl-2-methoxy-3-nitrophenyl acetate

CAS No.:
2698-69-3
Catalog Number:
AG00BDUB
Molecular Formula:
C10H9NO6
Molecular Weight:
239.1816
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Product Description
Catalog Number:
AG00BDUB
Chemical Name:
4-Formyl-2-methoxy-3-nitrophenyl acetate
CAS Number:
2698-69-3
Molecular Formula:
C10H9NO6
Molecular Weight:
239.1816
MDL Number:
MFCD00086004
IUPAC Name:
(4-formyl-2-methoxy-3-nitrophenyl) acetate
InChI:
InChI=1S/C10H9NO6/c1-6(13)17-8-4-3-7(5-12)9(11(14)15)10(8)16-2/h3-5H,1-2H3
InChI Key:
HCFBQKXQWQSMNV-UHFFFAOYSA-N
SMILES:
COc1c(ccc(c1[N+](=O)[O-])C=O)OC(=O)C
NSC Number:
59239
Properties
Complexity:
312  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.043g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.183g/mol
Monoisotopic Mass:
239.043g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
98.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties