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119206-63-2 | 2-Butenoic acid, 4-(1-naphthalenylamino)-4-oxo-, (2E)-
CAS No: 119206-63-2 Catalog No: AG000IE4 MDL No:
Product Description
Catalog Number:
AG000IE4
Chemical Name:
2-Butenoic acid, 4-(1-naphthalenylamino)-4-oxo-, (2E)-
CAS Number:
119206-63-2
Molecular Formula:
C14H11NO3
Molecular Weight:
241.2420
IUPAC Name:
4-(naphthalen-1-ylamino)-4-oxobut-2-enoic acid
InChI:
InChI=1S/C14H11NO3/c16-13(8-9-14(17)18)15-12-7-3-5-10-4-1-2-6-11(10)12/h1-9H,(H,15,16)(H,17,18)
InChI Key:
DNIIAZFRGKFYSJ-UHFFFAOYSA-N
SMILES:
O=C(Nc1cccc2c1cccc2)/C=C/C(=O)O
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.074g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
241.246g/mol
Monoisotopic Mass:
241.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.4
Literature
| Title | Journal |
|---|---|
| catena-Poly[[tri-n-butyltin]-mu-N-(1-naphthyl)maleamato]. | Acta crystallographica. Section C, Crystal structure communications 20020601 |
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