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Home > Other Heterocycles > 62756-19-8
62756-19-8 | SPIRO[2H-1-BENZOPYRAN-2,1'-CYCLOPENTAN]-4(3H)-ONE
CAS No: 62756-19-8 Catalog No: AG00F5PD MDL No:MFCD11111677
Product Description
Catalog Number:
AG00F5PD
Chemical Name:
SPIRO[2H-1-BENZOPYRAN-2,1'-CYCLOPENTAN]-4(3H)-ONE
CAS Number:
62756-19-8
Molecular Formula:
C13H14O2
Molecular Weight:
202.2491
MDL Number:
MFCD11111677
IUPAC Name:
spiro[3H-chromene-2,1'-cyclopentane]-4-one
InChI:
InChI=1S/C13H14O2/c14-11-9-13(7-3-4-8-13)15-12-6-2-1-5-10(11)12/h1-2,5-6H,3-4,7-9H2
InChI Key:
ICHMJHUCIOLELS-UHFFFAOYSA-N
SMILES:
O=C1CC2(CCCC2)Oc2c1cccc2
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.099g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.253g/mol
Monoisotopic Mass:
202.099g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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