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14034-69-6

14034-69-6 | Benzenamine, 4-methoxy-, 4-methylbenzenesulfonate (1:1)

CAS No: 14034-69-6 Catalog No: AG001C9F MDL No:

Product Description

Catalog Number:
AG001C9F
Chemical Name:
Benzenamine, 4-methoxy-, 4-methylbenzenesulfonate (1:1)
CAS Number:
14034-69-6
Molecular Formula:
C14H17NO4S
Molecular Weight:
295.3541
IUPAC Name:
4-methoxyaniline;4-methylbenzenesulfonic acid
InChI:
InChI=1S/C7H9NO.C7H8O3S/c1-9-7-4-2-6(8)3-5-7;1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,8H2,1H3;2-5H,1H3,(H,8,9,10)
InChI Key:
QNCSEFSQZHCLML-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)O.COc1ccc(cc1)N

Properties

Complexity:
283  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.088g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
295.353g/mol
Monoisotopic Mass:
295.088g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
98A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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