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189070-20-0 | Butanoic acid, 2-diazo-3-oxo-, 1,1-diethyl-2-methylpropyl ester
CAS No: 189070-20-0 Catalog No: AG002HT9 MDL No:
Product Description
Catalog Number:
AG002HT9
Chemical Name:
Butanoic acid, 2-diazo-3-oxo-, 1,1-diethyl-2-methylpropyl ester
CAS Number:
189070-20-0
Molecular Formula:
C12H20N2O3
Molecular Weight:
240.2988
IUPAC Name:
(3-ethyl-2-methylpentan-3-yl) 2-diazo-3-oxobutanoate
InChI:
InChI=1S/C12H20N2O3/c1-6-12(7-2,8(3)4)17-11(16)10(14-13)9(5)15/h8H,6-7H2,1-5H3
InChI Key:
GBSQUYKNJCECDH-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=C(C(=O)OC(C(C)C)(CC)CC)C(=O)C
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.147g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.303g/mol
Monoisotopic Mass:
240.147g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
45.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.2
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