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159783-41-2

159783-41-2 | Benzoic acid, 3-(1-methylethoxy)-4-nitro-, methyl ester

CAS No: 159783-41-2 Catalog No: AG00HYKC MDL No:

Product Description

Catalog Number:
AG00HYKC
Chemical Name:
Benzoic acid, 3-(1-methylethoxy)-4-nitro-, methyl ester
CAS Number:
159783-41-2
IUPAC Name:
methyl 4-nitro-3-propan-2-yloxybenzoate
InChI:
InChI=1S/C11H13NO5/c1-7(2)17-10-6-8(11(13)16-3)4-5-9(10)12(14)15/h4-7H,1-3H3
InChI Key:
GCJRDSAZLFQZHG-UHFFFAOYSA-N

Properties

Complexity:
286  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.079g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.227g/mol
Monoisotopic Mass:
239.079g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  

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