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Home > Nitro Compounds > 59265-70-2
59265-70-2 | Benzoic acid, 3-nitro-, propyl ester
CAS No: 59265-70-2 Catalog No: AG00IAJB MDL No:
Product Description
Catalog Number:
AG00IAJB
Chemical Name:
Benzoic acid, 3-nitro-, propyl ester
CAS Number:
59265-70-2
IUPAC Name:
propyl 3-nitrobenzoate
InChI:
InChI=1S/C10H11NO4/c1-2-6-15-10(12)8-4-3-5-9(7-8)11(13)14/h3-5,7H,2,6H2,1H3
InChI Key:
SOLNRIROLBHRDJ-UHFFFAOYSA-N
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.069g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.201g/mol
Monoisotopic Mass:
209.069g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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