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178-30-3 | 2,2'-Spirobi[2H-1-benzopyran]
CAS No: 178-30-3 Catalog No: AG0025Q4 MDL No:
Product Description
Catalog Number:
AG0025Q4
Chemical Name:
2,2'-Spirobi[2H-1-benzopyran]
CAS Number:
178-30-3
Molecular Formula:
C17H12O2
Molecular Weight:
248.2760
IUPAC Name:
2,2'-spirobi[chromene]
InChI:
InChI=1S/C17H12O2/c1-3-7-15-13(5-1)9-11-17(18-15)12-10-14-6-2-4-8-16(14)19-17/h1-12H
InChI Key:
DPBINLLPYGUIJM-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)OC1(C=C2)C=Cc2c(O1)cccc2
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.084g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.281g/mol
Monoisotopic Mass:
248.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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