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Home > Nitro Compounds > 4093-53-2
4093-53-2 | Pentanoic acid, 4-nitro-, ethyl ester
CAS No: 4093-53-2 Catalog No: AG01DOT9 MDL No:MFCD12022638
Product Description
Catalog Number:
AG01DOT9
Chemical Name:
Pentanoic acid, 4-nitro-, ethyl ester
CAS Number:
4093-53-2
MDL Number:
MFCD12022638
IUPAC Name:
ethyl 4-nitropentanoate
InChI:
InChI=1S/C7H13NO4/c1-3-12-7(9)5-4-6(2)8(10)11/h6H,3-5H2,1-2H3
InChI Key:
HSKYYRXKUNNOMT-UHFFFAOYSA-N
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.084g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.184g/mol
Monoisotopic Mass:
175.084g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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