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Home > Other Heterocycles > 1177724-92-3
1177724-92-3 | 7-Hydroxy-4'-methylspiro[chromene-2,1'-cyclohexan]-4(3H)-one
CAS No: 1177724-92-3 Catalog No: AG01B5TM MDL No:MFCD09881010
Product Description
Catalog Number:
AG01B5TM
Chemical Name:
7-Hydroxy-4'-methylspiro[chromene-2,1'-cyclohexan]-4(3H)-one
CAS Number:
1177724-92-3
Molecular Formula:
C15H18O3
Molecular Weight:
246.3016
MDL Number:
MFCD09881010
IUPAC Name:
7-hydroxy-4'-methylspiro[3H-chromene-2,1'-cyclohexane]-4-one
InChI:
InChI=1S/C15H18O3/c1-10-4-6-15(7-5-10)9-13(17)12-3-2-11(16)8-14(12)18-15/h2-3,8,10,16H,4-7,9H2,1H3
InChI Key:
DFXURMDUNBMQPF-UHFFFAOYSA-N
SMILES:
CC1CCC2(CC1)CC(=O)c1c(O2)cc(cc1)O
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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