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Home > Other Heterocycles > 62756-43-8
62756-43-8 | 7-hydroxyspiro[chromene-2,1'-cyclohexan]-4(3H)-one
CAS No: 62756-43-8 Catalog No: AG00J8HJ MDL No:MFCD08741814
Product Description
Catalog Number:
AG00J8HJ
Chemical Name:
7-hydroxyspiro[chromene-2,1'-cyclohexan]-4(3H)-one
CAS Number:
62756-43-8
Molecular Formula:
C14H16O3
Molecular Weight:
232.2750
MDL Number:
MFCD08741814
IUPAC Name:
7-hydroxyspiro[3H-chromene-2,1'-cyclohexane]-4-one
InChI:
InChI=1S/C14H16O3/c15-10-4-5-11-12(16)9-14(17-13(11)8-10)6-2-1-3-7-14/h4-5,8,15H,1-3,6-7,9H2
InChI Key:
PNAWIVQCNNWUBD-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)OC1(CC2=O)CCCCC1
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.11g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.279g/mol
Monoisotopic Mass:
232.11g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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