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Home > Other Heterocycles > 1242843-10-2
1242843-10-2 | (2S)-7-hydroxy-5'-methyl-3,4-dihydrospiro[1-benzopyran-2,1'-cyclohexane]-4-one
CAS No: 1242843-10-2 Catalog No: AG01B5UL MDL No:MFCD15730782
Product Description
Catalog Number:
AG01B5UL
Chemical Name:
(2S)-7-hydroxy-5'-methyl-3,4-dihydrospiro[1-benzopyran-2,1'-cyclohexane]-4-one
CAS Number:
1242843-10-2
Molecular Formula:
C15H18O3
Molecular Weight:
246.3016
MDL Number:
MFCD15730782
IUPAC Name:
(2S)-7-hydroxy-3'-methylspiro[3H-chromene-2,1'-cyclohexane]-4-one
InChI:
InChI=1S/C15H18O3/c1-10-3-2-6-15(8-10)9-13(17)12-5-4-11(16)7-14(12)18-15/h4-5,7,10,16H,2-3,6,8-9H2,1H3/t10?,15-/m0/s1
InChI Key:
DSODKSULHXYBLA-WRXSAAJRSA-N
SMILES:
CC1CCC[C@]2(C1)CC(=O)c1c(O2)cc(cc1)O
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
246.126g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
246.306g/mol
Monoisotopic Mass:
246.126g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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