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20215-72-9 | 1,4-Naphthalenedione, 2-methyl-3-[(methylphenylamino)methyl]-
CAS No: 20215-72-9 Catalog No: AG00283M MDL No:
Product Description
Catalog Number:
AG00283M
Chemical Name:
1,4-Naphthalenedione, 2-methyl-3-[(methylphenylamino)methyl]-
CAS Number:
20215-72-9
Molecular Formula:
C19H17NO2
Molecular Weight:
291.3438
IUPAC Name:
2-methyl-3-[(N-methylanilino)methyl]naphthalene-1,4-dione
InChI:
InChI=1S/C19H17NO2/c1-13-17(12-20(2)14-8-4-3-5-9-14)19(22)16-11-7-6-10-15(16)18(13)21/h3-11H,12H2,1-2H3
InChI Key:
SNFZMXBGVAIUFI-UHFFFAOYSA-N
SMILES:
CN(c1ccccc1)CC1=C(C)C(=O)c2c(C1=O)cccc2
Properties
Complexity:
488
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.126g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.35g/mol
Monoisotopic Mass:
291.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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