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3230-39-5 | 4-(4-METHOXYBENZYLIDENE)-4-HYDROXYANILINE
CAS No: 3230-39-5 Catalog No: AG003K43 MDL No:MFCD00037176
Product Description
Catalog Number:
AG003K43
Chemical Name:
4-(4-METHOXYBENZYLIDENE)-4-HYDROXYANILINE
CAS Number:
3230-39-5
Molecular Formula:
C14H13NO2
Molecular Weight:
227.2585
MDL Number:
MFCD00037176
IUPAC Name:
4-[(4-methoxyphenyl)methylideneamino]phenol
InChI:
InChI=1S/C14H13NO2/c1-17-14-8-2-11(3-9-14)10-15-12-4-6-13(16)7-5-12/h2-10,16H,1H3
InChI Key:
YONXPYGTYHMKDH-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)/C=N/c1ccc(cc1)O
EC Number:
221-768-5
NSC Number:
112115
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.095g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.263g/mol
Monoisotopic Mass:
227.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Literature
| Title | Journal |
|---|---|
| Rational design and evaluation of new lead compound structures for selective betaARK1 inhibitors. | Journal of medicinal chemistry 20020523 |
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