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Home > Other Heterocycles > 70441-03-1
70441-03-1 | 7-Hydroxyspiro[chroman-2,1'-cyclopentan]-4-one
CAS No: 70441-03-1 Catalog No: AG0069C2 MDL No:MFCD13152231
Product Description
Catalog Number:
AG0069C2
Chemical Name:
7-Hydroxyspiro[chroman-2,1'-cyclopentan]-4-one
CAS Number:
70441-03-1
Molecular Formula:
C13H14O3
Molecular Weight:
218.2485
MDL Number:
MFCD13152231
IUPAC Name:
7-hydroxyspiro[3H-chromene-2,1'-cyclopentane]-4-one
InChI:
InChI=1S/C13H14O3/c14-9-3-4-10-11(15)8-13(5-1-2-6-13)16-12(10)7-9/h3-4,7,14H,1-2,5-6,8H2
InChI Key:
BWXZRLGTSDKAOP-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)OC1(CC2=O)CCCC1
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.094g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.252g/mol
Monoisotopic Mass:
218.094g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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