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940472-66-2 | (E)-4-[4-(1-Azepanylcarbonyl)anilino]-4-oxo-2-butenoic acid
CAS No: 940472-66-2 Catalog No: AG01FOC0 MDL No:
Product Description
Catalog Number:
AG01FOC0
Chemical Name:
(E)-4-[4-(1-Azepanylcarbonyl)anilino]-4-oxo-2-butenoic acid
CAS Number:
940472-66-2
IUPAC Name:
4-[4-(azepane-1-carbonyl)anilino]-4-oxobut-2-enoic acid
InChI:
InChI=1S/C17H20N2O4/c20-15(9-10-16(21)22)18-14-7-5-13(6-8-14)17(23)19-11-3-1-2-4-12-19/h5-10H,1-4,11-12H2,(H,18,20)(H,21,22)
InChI Key:
ZQASUYBCPMLKLP-UHFFFAOYSA-N
Properties
Complexity:
459
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.142g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
316.357g/mol
Monoisotopic Mass:
316.142g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
86.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.5
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