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200706-68-9 | 4-(4-IODOANILINO)-4-OXOBUT-2-ENOIC ACID
CAS No: 200706-68-9 Catalog No: AG00BUMR MDL No:MFCD00449693
Product Description
Catalog Number:
AG00BUMR
Chemical Name:
4-(4-IODOANILINO)-4-OXOBUT-2-ENOIC ACID
CAS Number:
200706-68-9
MDL Number:
MFCD00449693
IUPAC Name:
(E)-4-(4-iodoanilino)-4-oxobut-2-enoic acid
InChI:
InChI=1S/C10H8INO3/c11-7-1-3-8(4-2-7)12-9(13)5-6-10(14)15/h1-6H,(H,12,13)(H,14,15)/b6-5+
InChI Key:
KSVGHDGDESFZOK-AATRIKPKSA-N
NSC Number:
158441
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
316.955g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
317.082g/mol
Monoisotopic Mass:
316.955g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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