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6971-81-9 | ethyl[2-(acetyloxy)propan-2-yl]diazenecarboxylate
CAS No: 6971-81-9 Catalog No: AG005IS7 MDL No:
Product Description
Catalog Number:
AG005IS7
Chemical Name:
ethyl[2-(acetyloxy)propan-2-yl]diazenecarboxylate
CAS Number:
6971-81-9
Molecular Formula:
C8H13N2O4-
Molecular Weight:
201.1998
IUPAC Name:
2-[(E)-ethoxycarbonyldiazenyl]propan-2-yl acetate
InChI:
InChI=1S/C8H14N2O4/c1-5-13-7(12)9-10-8(3,4)14-6(2)11/h5H2,1-4H3/b10-9+
InChI Key:
JVRRYCCNWITMTO-MDZDMXLPSA-N
SMILES:
CCCC(OC(=O)C)(N=NC(=O)[O-])C
NSC Number:
67238
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
202.095g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.21g/mol
Monoisotopic Mass:
202.095g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
77.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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