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Home > Nitro Compounds > 74038-57-6
74038-57-6 | 6-(3-Nitrophenyl)-4-oxo-5-hexenoic acid
CAS No: 74038-57-6 Catalog No: AG00FWRB MDL No:
Product Description
Catalog Number:
AG00FWRB
Chemical Name:
6-(3-Nitrophenyl)-4-oxo-5-hexenoic acid
CAS Number:
74038-57-6
IUPAC Name:
(E)-6-(3-nitrophenyl)-4-oxohex-5-enoic acid
InChI:
InChI=1S/C12H11NO5/c14-11(6-7-12(15)16)5-4-9-2-1-3-10(8-9)13(17)18/h1-5,8H,6-7H2,(H,15,16)/b5-4+
InChI Key:
VBUVBQVVUXMCTD-SNAWJCMRSA-N
NSC Number:
81134
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
249.064g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.222g/mol
Monoisotopic Mass:
249.064g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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