Home Other Building Blocks 4-Hydroxybenzoic-1,2,3,4,5,6-13C6 Acid

4-Hydroxybenzoic-1,2,3,4,5,6-13C6 Acid

CAS No.:
287399-29-5
Catalog Number:
AG00BJ9M
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00BJ9M
Chemical Name:
4-Hydroxybenzoic-1,2,3,4,5,6-13C6 Acid
CAS Number:
287399-29-5
MDL Number:
MFCD01075598
IUPAC Name:
4-hydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carboxylic acid
InChI:
InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)/i1+1,2+1,3+1,4+1,5+1,6+1
InChI Key:
FJKROLUGYXJWQN-IDEBNGHGSA-N
Properties
Complexity:
125  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.052g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
6  
Molecular Weight:
144.076g/mol
Monoisotopic Mass:
144.052g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties