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Home > Nitro Compounds > 1171924-07-4
1171924-07-4 | 2-Methoxy-6-nitrooxymethyl-benzoic acid ethyl ester
CAS No: 1171924-07-4 Catalog No: AG00JS3V MDL No:
Product Description
Catalog Number:
AG00JS3V
Chemical Name:
2-Methoxy-6-nitrooxymethyl-benzoic acid ethyl ester
CAS Number:
1171924-07-4
Molecular Formula:
C11H13NO6
Molecular Weight:
255.2240
IUPAC Name:
ethyl 2-methoxy-6-(nitrooxymethyl)benzoate
InChI:
InChI=1S/C11H13NO6/c1-3-17-11(13)10-8(7-18-12(14)15)5-4-6-9(10)16-2/h4-6H,3,7H2,1-2H3
InChI Key:
HBAJWJKGKJAVLL-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(cccc1OC)CO[N+](=O)[O-]
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.074g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.226g/mol
Monoisotopic Mass:
255.074g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
90.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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