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188939-71-1 | 2-Cyclohexen-1-ol, 1-[2-[(dimethylamino)methyl]phenyl]-
CAS No: 188939-71-1 Catalog No: AG002HKM MDL No:
Product Description
Catalog Number:
AG002HKM
Chemical Name:
2-Cyclohexen-1-ol, 1-[2-[(dimethylamino)methyl]phenyl]-
CAS Number:
188939-71-1
Molecular Formula:
C15H21NO
Molecular Weight:
231.3333
IUPAC Name:
1-[2-[(dimethylamino)methyl]phenyl]cyclohex-2-en-1-ol
InChI:
InChI=1S/C15H21NO/c1-16(2)12-13-8-4-5-9-14(13)15(17)10-6-3-7-11-15/h4-6,8-10,17H,3,7,11-12H2,1-2H3
InChI Key:
KNQOZVMAZQABOJ-UHFFFAOYSA-N
SMILES:
CN(Cc1ccccc1C1(O)CCCC=C1)C
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.162g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.339g/mol
Monoisotopic Mass:
231.162g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
23.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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