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139975-67-0 | Butanoic acid, 2-methyl-2-(1-naphthalenylazo)-3-oxo-, methyl ester (9CI)
CAS No: 139975-67-0 Catalog No: AG001BVZ MDL No:
Product Description
Catalog Number:
AG001BVZ
Chemical Name:
Butanoic acid, 2-methyl-2-(1-naphthalenylazo)-3-oxo-, methyl ester (9CI)
CAS Number:
139975-67-0
Molecular Formula:
C16H16N2O3
Molecular Weight:
284.3098
IUPAC Name:
methyl 2-methyl-2-(naphthalen-1-yldiazenyl)-3-oxobutanoate
InChI:
InChI=1S/C16H16N2O3/c1-11(19)16(2,15(20)21-3)18-17-14-10-6-8-12-7-4-5-9-13(12)14/h4-10H,1-3H3
InChI Key:
QRSUVUAZNOYOFB-UHFFFAOYSA-N
SMILES:
COC(=O)C(C(=O)C)(N=Nc1cccc2c1cccc2)C
Properties
Complexity:
435
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.116g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.315g/mol
Monoisotopic Mass:
284.116g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
68.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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