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14921-73-4 | Benzoic acid, 4-[[[4-(pentyloxy)phenyl]methylene]amino]-
CAS No: 14921-73-4 Catalog No: AG001LHN MDL No:
Product Description
Catalog Number:
AG001LHN
Chemical Name:
Benzoic acid, 4-[[[4-(pentyloxy)phenyl]methylene]amino]-
CAS Number:
14921-73-4
Molecular Formula:
C19H21NO3
Molecular Weight:
311.3749
IUPAC Name:
4-[(4-pentoxyphenyl)methylideneamino]benzoic acid
InChI:
InChI=1S/C19H21NO3/c1-2-3-4-13-23-18-11-5-15(6-12-18)14-20-17-9-7-16(8-10-17)19(21)22/h5-12,14H,2-4,13H2,1H3,(H,21,22)
InChI Key:
PRELFWFBDYLXLQ-UHFFFAOYSA-N
SMILES:
CCCCCOc1ccc(cc1)C=Nc1ccc(cc1)C(=O)O
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.152g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
311.381g/mol
Monoisotopic Mass:
311.152g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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