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141101-82-8 | 2-Naphthalenepropanoyl azide, 1,4-dihydro-3-methyl-1,4-dioxo-
CAS No: 141101-82-8 Catalog No: AG001FWQ MDL No:
Product Description
Catalog Number:
AG001FWQ
Chemical Name:
2-Naphthalenepropanoyl azide, 1,4-dihydro-3-methyl-1,4-dioxo-
CAS Number:
141101-82-8
Molecular Formula:
C14H11N3O3
Molecular Weight:
269.2554
IUPAC Name:
3-(3-methyl-1,4-dioxonaphthalen-2-yl)propanoyl azide
InChI:
InChI=1S/C14H11N3O3/c1-8-9(6-7-12(18)16-17-15)14(20)11-5-3-2-4-10(11)13(8)19/h2-5H,6-7H2,1H3
InChI Key:
AIUANWMZOHFETN-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=NC(=O)CCC1=C(C)C(=O)c2c(C1=O)cccc2
Properties
Complexity:
544
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.08g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.26g/mol
Monoisotopic Mass:
269.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
65.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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