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211318-53-5 | Octanoic acid, 2-diazo-3-hydroxy-, ethyl ester
CAS No: 211318-53-5 Catalog No: AG002LA9 MDL No:
Product Description
Catalog Number:
AG002LA9
Chemical Name:
Octanoic acid, 2-diazo-3-hydroxy-, ethyl ester
CAS Number:
211318-53-5
Molecular Formula:
C10H18N2O3
Molecular Weight:
214.2615
IUPAC Name:
ethyl 2-diazo-3-hydroxyoctanoate
InChI:
InChI=1S/C10H18N2O3/c1-3-5-6-7-8(13)9(12-11)10(14)15-4-2/h8,13H,3-7H2,1-2H3
InChI Key:
PLYAZOVVPUVHPC-UHFFFAOYSA-N
SMILES:
CCCCCC(C(=[N+]=[N-])C(=O)OCC)O
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.132g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.265g/mol
Monoisotopic Mass:
214.132g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
48.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
2.4
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