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Home > Pyridines > 731863-23-3
731863-23-3 | Ethanone, 1-(4-pyridinyl)-, monohydrate
CAS No: 731863-23-3 Catalog No: AG01DO5A MDL No:MFCD13175295
Product Description
Catalog Number:
AG01DO5A
Chemical Name:
Ethanone, 1-(4-pyridinyl)-, monohydrate
CAS Number:
731863-23-3
MDL Number:
MFCD13175295
IUPAC Name:
1-pyridin-4-ylethanone;hydrate
InChI:
InChI=1S/C7H7NO.H2O/c1-6(9)7-2-4-8-5-3-7;/h2-5H,1H3;1H2
InChI Key:
AXEHMDMVUYZPLI-UHFFFAOYSA-N
Properties
Complexity:
106
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.063g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
139.154g/mol
Monoisotopic Mass:
139.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
31A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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