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BENZOIC ACID-RING-UL-14C

CAS No.:
125945-98-4
Catalog Number:
AG009DOY
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG009DOY
Chemical Name:
BENZOIC ACID-RING-UL-14C
CAS Number:
125945-98-4
MDL Number:
MFCD00055747
IUPAC Name:
(1,2,3,4,5,6-13C6)cyclohexatrienecarboxylic acid
InChI:
InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)/i1+1,2+1,3+1,4+1,5+1,6+1
InChI Key:
WPYMKLBDIGXBTP-IDEBNGHGSA-N
Properties
Complexity:
104  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.057g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
6  
Molecular Weight:
128.077g/mol
Monoisotopic Mass:
128.057g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties