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Home > Nitro Compounds > 126375-40-4
126375-40-4 | 3-Nitrophenyl hexanoate
CAS No: 126375-40-4 Catalog No: AG01EGSJ MDL No:
Product Description
Catalog Number:
AG01EGSJ
Chemical Name:
3-Nitrophenyl hexanoate
CAS Number:
126375-40-4
IUPAC Name:
(3-nitrophenyl) hexanoate
InChI:
InChI=1S/C12H15NO4/c1-2-3-4-8-12(14)17-11-7-5-6-10(9-11)13(15)16/h5-7,9H,2-4,8H2,1H3
InChI Key:
YEQVHAOKBMYEQR-UHFFFAOYSA-N
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.1g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.255g/mol
Monoisotopic Mass:
237.1g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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