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Home > Pyridines > 1803562-64-2
1803562-64-2 | 3-[6-(hydroxymethyl)pyridin-2-yl]cyclohex-2-en-1-one
CAS No: 1803562-64-2 Catalog No: AG01BHDB MDL No:MFCD28397348
Product Description
Catalog Number:
AG01BHDB
Chemical Name:
3-[6-(hydroxymethyl)pyridin-2-yl]cyclohex-2-en-1-one
CAS Number:
1803562-64-2
Molecular Formula:
C12H13NO2
Molecular Weight:
203.2371
MDL Number:
MFCD28397348
IUPAC Name:
3-[6-(hydroxymethyl)pyridin-2-yl]cyclohex-2-en-1-one
InChI:
InChI=1S/C12H13NO2/c14-8-10-4-2-6-12(13-10)9-3-1-5-11(15)7-9/h2,4,6-7,14H,1,3,5,8H2
InChI Key:
XWJSXHXKAFTTKV-UHFFFAOYSA-N
SMILES:
OCc1cccc(n1)C1=CC(=O)CCC1
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.095g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
203.241g/mol
Monoisotopic Mass:
203.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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