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113800-82-1 | 1,3-Benzenediol, 4-[(1-naphthalenylimino)methyl]-
CAS No: 113800-82-1 Catalog No: AG0009Q3 MDL No:
Product Description
Catalog Number:
AG0009Q3
Chemical Name:
1,3-Benzenediol, 4-[(1-naphthalenylimino)methyl]-
CAS Number:
113800-82-1
Molecular Formula:
C17H13NO2
Molecular Weight:
263.2906
IUPAC Name:
4-(naphthalen-1-yliminomethyl)benzene-1,3-diol
InChI:
InChI=1S/C17H13NO2/c19-14-9-8-13(17(20)10-14)11-18-16-7-3-5-12-4-1-2-6-15(12)16/h1-11,19-20H
InChI Key:
RJBRMIUDYFYKSS-UHFFFAOYSA-N
SMILES:
Oc1ccc(c(c1)O)C=Nc1cccc2c1cccc2
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.095g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
263.296g/mol
Monoisotopic Mass:
263.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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