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123811-74-5 | 2-Pyridinecarboxylic acid, 4-methoxy-, hydrochloride (1:1)
CAS No: 123811-74-5 Catalog No: AG000L4H MDL No:MFCD05663513
Product Description
Catalog Number:
AG000L4H
Chemical Name:
2-Pyridinecarboxylic acid, 4-methoxy-, hydrochloride (1:1)
CAS Number:
123811-74-5
Molecular Formula:
C7H8ClNO3
Molecular Weight:
189.5963
MDL Number:
MFCD05663513
IUPAC Name:
4-methoxypyridine-2-carboxylic acid;hydrochloride
InChI:
InChI=1S/C7H7NO3.ClH/c1-11-5-2-3-8-6(4-5)7(9)10;/h2-4H,1H3,(H,9,10);1H
InChI Key:
ZQALTXNYLWROAB-UHFFFAOYSA-N
SMILES:
COc1ccnc(c1)C(=O)O.Cl
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.019g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
189.595g/mol
Monoisotopic Mass:
189.019g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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