Octanoic-1-13C acid


Chemical Name: Octanoic-1-13C acid
CAS Number: 59669-16-8
Product Number: AG00EAKL(AGN-PC-0ST4OG)
Synonyms:
MDL No:
Molecular Formula: C8H16O2
Molecular Weight: 145.2041

Identification/Properties


Computed Properties
Molecular Weight:
145.206g/mol
XLogP3:
3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
6
Exact Mass:
145.118g/mol
Monoisotopic Mass:
145.118g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
89.3
Isotope Atom Count:
1
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Danger
UN#:
3265
Hazard Statements:
H314
Precautionary Statements:
P280-P305+P351+P338-P310
Class:
8
Packing Group:

NMR Spectrum


Other Analytical Data


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