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820976-36-1 | 3-Penten-2-one, 3-[(dimethylamino)methyl]-4-hydroxy-, hydrochloride
CAS No: 820976-36-1 Catalog No: AG005BX0 MDL No:
Product Description
Catalog Number:
AG005BX0
Chemical Name:
3-Penten-2-one, 3-[(dimethylamino)methyl]-4-hydroxy-, hydrochloride
CAS Number:
820976-36-1
Molecular Formula:
C8H16ClNO2
Molecular Weight:
193.6711
IUPAC Name:
3-[(dimethylamino)methyl]-4-hydroxypent-3-en-2-one;hydrochloride
InChI:
InChI=1S/C8H15NO2.ClH/c1-6(10)8(7(2)11)5-9(3)4;/h10H,5H2,1-4H3;1H
InChI Key:
JAXQIOADPXOZCV-UHFFFAOYSA-N
SMILES:
CN(CC(=C(O)C)C(=O)C)C.Cl
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.087g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
193.671g/mol
Monoisotopic Mass:
193.087g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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