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Home > Aldehydes > 679835-69-9
679835-69-9 | [1,1':3',1''-Terphenyl]-4,4''-dicarboxaldehyde, 2'-amino-5'-methyl-
CAS No: 679835-69-9 Catalog No: AG006HDN MDL No:
Product Description
Catalog Number:
AG006HDN
Chemical Name:
[1,1':3',1''-Terphenyl]-4,4''-dicarboxaldehyde, 2'-amino-5'-methyl-
CAS Number:
679835-69-9
Molecular Formula:
C21H17NO2
Molecular Weight:
315.3652
IUPAC Name:
4-[2-amino-3-(4-formylphenyl)-5-methylphenyl]benzaldehyde
InChI:
InChI=1S/C21H17NO2/c1-14-10-19(17-6-2-15(12-23)3-7-17)21(22)20(11-14)18-8-4-16(13-24)5-9-18/h2-13H,22H2,1H3
InChI Key:
UOKDRANBZBWJIF-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)c1cc(C)cc(c1N)c1ccc(cc1)C=O
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.126g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
315.372g/mol
Monoisotopic Mass:
315.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
60.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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