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15012-49-4 | Benzoic acid, 4-[[(4-propoxyphenyl)methylene]amino]-
CAS No: 15012-49-4 Catalog No: AG001MCU MDL No:
Product Description
Catalog Number:
AG001MCU
Chemical Name:
Benzoic acid, 4-[[(4-propoxyphenyl)methylene]amino]-
CAS Number:
15012-49-4
Molecular Formula:
C17H17NO3
Molecular Weight:
283.3218
IUPAC Name:
4-[(4-propoxyphenyl)methylideneamino]benzoic acid
InChI:
InChI=1S/C17H17NO3/c1-2-11-21-16-9-3-13(4-10-16)12-18-15-7-5-14(6-8-15)17(19)20/h3-10,12H,2,11H2,1H3,(H,19,20)
InChI Key:
MPOXGGZQCJQMTM-UHFFFAOYSA-N
SMILES:
CCCOc1ccc(cc1)C=Nc1ccc(cc1)C(=O)O
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.121g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
283.327g/mol
Monoisotopic Mass:
283.121g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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