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114479-89-9 | Benzoic acid, 4-[[[4-(2-oxiranylmethoxy)phenyl]methylene]amino]-
CAS No: 114479-89-9 Catalog No: AG000EI1 MDL No:
Product Description
Catalog Number:
AG000EI1
Chemical Name:
Benzoic acid, 4-[[[4-(2-oxiranylmethoxy)phenyl]methylene]amino]-
CAS Number:
114479-89-9
Molecular Formula:
C17H15NO4
Molecular Weight:
297.3053
IUPAC Name:
4-[[4-(oxiran-2-ylmethoxy)phenyl]methylideneamino]benzoic acid
InChI:
InChI=1S/C17H15NO4/c19-17(20)13-3-5-14(6-4-13)18-9-12-1-7-15(8-2-12)21-10-16-11-22-16/h1-9,16H,10-11H2,(H,19,20)
InChI Key:
QJJIIAOWAZIGAQ-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)N=Cc1ccc(cc1)OCC1OC1
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.1g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
297.31g/mol
Monoisotopic Mass:
297.1g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
71.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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