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4485-89-6 | 3-ANILINOACROLEIN ANIL
CAS No: 4485-89-6 Catalog No: AG003IY9 MDL No:
Product Description
Catalog Number:
AG003IY9
Chemical Name:
3-ANILINOACROLEIN ANIL
CAS Number:
4485-89-6
IUPAC Name:
N-[(E)-3-phenyliminoprop-1-enyl]aniline
InChI:
InChI=1S/C15H14N2/c1-3-8-14(9-4-1)16-12-7-13-17-15-10-5-2-6-11-15/h1-13,16H/b12-7+,17-13?
InChI Key:
ZFYNTCNECVPHDZ-RMPAWCBFSA-N
NSC Number:
84845
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
222.116g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.291g/mol
Monoisotopic Mass:
222.116g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
24.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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