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139021-83-3 | Acetic acid, 2-diazo-, 2-methyl-1-(1-methylethyl)propyl ester
CAS No: 139021-83-3 Catalog No: AG001A1R MDL No:
Product Description
Catalog Number:
AG001A1R
Chemical Name:
Acetic acid, 2-diazo-, 2-methyl-1-(1-methylethyl)propyl ester
CAS Number:
139021-83-3
Molecular Formula:
C9H16N2O2
Molecular Weight:
184.2355
IUPAC Name:
2,4-dimethylpentan-3-yl 2-diazoacetate
InChI:
InChI=1S/C9H16N2O2/c1-6(2)9(7(3)4)13-8(12)5-11-10/h5-7,9H,1-4H3
InChI Key:
FFFNUZMPGPIMKW-UHFFFAOYSA-N
SMILES:
CC(C(C(C)C)OC(=O)C=[N+]=[N-])C
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.121g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.239g/mol
Monoisotopic Mass:
184.121g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
28.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.1
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