Home Other Building Blocks OCTANOIC 1-13C ACID

OCTANOIC 1-13C ACID

CAS No.:
59669-16-8
Catalog Number:
AG00EAKL
Molecular Formula:
C8H16O2
Molecular Weight:
145.2041
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Product Description
Catalog Number:
AG00EAKL
Chemical Name:
OCTANOIC 1-13C ACID
CAS Number:
59669-16-8
Molecular Formula:
C8H16O2
Molecular Weight:
145.2041
MDL Number:
MFCD00037627
IUPAC Name:
(113C)octanoic acid
InChI:
InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)/i8+1
InChI Key:
WWZKQHOCKIZLMA-VJJZLTLGSA-N
SMILES:
CCCCCCC[13C](=O)O
UNII:
E775ICF82G
Properties
Complexity:
89.3  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
145.118g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
1  
Molecular Weight:
145.206g/mol
Monoisotopic Mass:
145.118g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties