Home Other Building Blocks 4-Methoxybenzoic acid-[13C6]

4-Methoxybenzoic acid-[13C6]

CAS No.:
1173022-97-3
Catalog Number:
AG0096KG
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG0096KG
Chemical Name:
4-Methoxybenzoic acid-[13C6]
CAS Number:
1173022-97-3
MDL Number:
MFCD09842723
IUPAC Name:
4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carboxylic acid
InChI:
InChI=1S/C8H8O3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,9,10)/i2+1,3+1,4+1,5+1,6+1,7+1
InChI Key:
ZEYHEAKUIGZSGI-WBJZHHNVSA-N
Properties
Complexity:
136  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.067g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
6  
Molecular Weight:
158.103g/mol
Monoisotopic Mass:
158.067g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties