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15039-34-6 | Benzoic acid, 2-hydroxy-, compd. with pyridine (1:1)
CAS No: 15039-34-6 Catalog No: AG001MKR MDL No:
Product Description
Catalog Number:
AG001MKR
Chemical Name:
Benzoic acid, 2-hydroxy-, compd. with pyridine (1:1)
CAS Number:
15039-34-6
Molecular Formula:
C12H11NO3
Molecular Weight:
217.2206
IUPAC Name:
2-hydroxybenzoic acid;pyridine
InChI:
InChI=1S/C7H6O3.C5H5N/c8-6-4-2-1-3-5(6)7(9)10;1-2-4-6-5-3-1/h1-4,8H,(H,9,10);1-5H
InChI Key:
ONSYFGRVJCIZKU-UHFFFAOYSA-N
SMILES:
c1cccnc1.OC(=O)c1ccccc1O
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.074g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
217.224g/mol
Monoisotopic Mass:
217.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
70.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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