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Home > Other Heterocycles > 934554-40-2
934554-40-2 | 3,4-dihydrospiro[1-benzopyran-2,1'-cyclobutane]-4-one
CAS No: 934554-40-2 Catalog No: AG00IHMG MDL No:MFCD22196586
Product Description
Catalog Number:
AG00IHMG
Chemical Name:
3,4-dihydrospiro[1-benzopyran-2,1'-cyclobutane]-4-one
CAS Number:
934554-40-2
Molecular Formula:
C12H12O2
Molecular Weight:
188.2225
MDL Number:
MFCD22196586
IUPAC Name:
spiro[3H-chromene-2,1'-cyclobutane]-4-one
InChI:
InChI=1S/C12H12O2/c13-10-8-12(6-3-7-12)14-11-5-2-1-4-9(10)11/h1-2,4-5H,3,6-8H2
InChI Key:
VAHPFHDJAVFATB-UHFFFAOYSA-N
SMILES:
O=C1CC2(CCC2)Oc2c1cccc2
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.084g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.226g/mol
Monoisotopic Mass:
188.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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