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26449-46-7 | Phenol, 2-[(1,3-benzodioxol-5-ylmethylene)amino]-5-ethoxy-
CAS No: 26449-46-7 Catalog No: AG002T9K MDL No:
Product Description
Catalog Number:
AG002T9K
Chemical Name:
Phenol, 2-[(1,3-benzodioxol-5-ylmethylene)amino]-5-ethoxy-
CAS Number:
26449-46-7
Molecular Formula:
C16H15NO4
Molecular Weight:
285.2946
IUPAC Name:
2-(1,3-benzodioxol-5-ylmethylideneamino)-5-ethoxyphenol
InChI:
InChI=1S/C16H15NO4/c1-2-19-12-4-5-13(14(18)8-12)17-9-11-3-6-15-16(7-11)21-10-20-15/h3-9,18H,2,10H2,1H3
InChI Key:
AHXGAMCZONKGBI-UHFFFAOYSA-N
SMILES:
CCOc1ccc(c(c1)O)N=Cc1ccc2c(c1)OCO2
NSC Number:
125520
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.1g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
285.299g/mol
Monoisotopic Mass:
285.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
60.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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