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187606-81-1 | 4-Phenylamino-but-3-en-2-one
CAS No: 187606-81-1 Catalog No: AG01FGXT MDL No:
Product Description
Catalog Number:
AG01FGXT
Chemical Name:
4-Phenylamino-but-3-en-2-one
CAS Number:
187606-81-1
IUPAC Name:
4-anilinobut-3-en-2-one
InChI:
InChI=1S/C10H11NO/c1-9(12)7-8-11-10-5-3-2-4-6-10/h2-8,11H,1H3
InChI Key:
PKPHRGDDGVWMSF-UHFFFAOYSA-N
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.084g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
161.204g/mol
Monoisotopic Mass:
161.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.3
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