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Home > Aldehydes > 129217-90-9
129217-90-9 | aniline; 2-methylaniline; terephthalaldehyde
CAS No: 129217-90-9 Catalog No: AG000YZ4 MDL No:
Product Description
Catalog Number:
AG000YZ4
Chemical Name:
aniline; 2-methylaniline; terephthalaldehyde
CAS Number:
129217-90-9
Molecular Formula:
C21H22N2O2
Molecular Weight:
334.4116
IUPAC Name:
aniline;2-methylaniline;terephthalaldehyde
InChI:
InChI=1S/C8H6O2.C7H9N.C6H7N/c9-5-7-1-2-8(6-10)4-3-7;1-6-4-2-3-5-7(6)8;7-6-4-2-1-3-5-6/h1-6H;2-5H,8H2,1H3;1-5H,7H2
InChI Key:
JHHFPHHMBYMTCR-UHFFFAOYSA-N
SMILES:
Cc1ccccc1N.Nc1ccccc1.O=Cc1ccc(cc1)C=O
EC Number:
406-620-1
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.168g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
334.419g/mol
Monoisotopic Mass:
334.168g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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