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820232-28-8 | Morpholine, 4-(3-cyano-4-hydroxybenzoyl)-
CAS No: 820232-28-8 Catalog No: AG0053EL MDL No:
Product Description
Catalog Number:
AG0053EL
Chemical Name:
Morpholine, 4-(3-cyano-4-hydroxybenzoyl)-
CAS Number:
820232-28-8
Molecular Formula:
C12H12N2O3
Molecular Weight:
232.2353
IUPAC Name:
2-hydroxy-5-(morpholine-4-carbonyl)benzonitrile
InChI:
InChI=1S/C12H12N2O3/c13-8-10-7-9(1-2-11(10)15)12(16)14-3-5-17-6-4-14/h1-2,7,15H,3-6H2
InChI Key:
LTQOCQMJZMXFJB-UHFFFAOYSA-N
SMILES:
N#Cc1cc(ccc1O)C(=O)N1CCOCC1
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.085g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.239g/mol
Monoisotopic Mass:
232.085g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
73.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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