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Home > Other Heterocycles > 178-23-4
178-23-4 | 3,3'(4H,4'H)-Spirobi[2H-1-benzopyran] (9CI)
CAS No: 178-23-4 Catalog No: AG0025PE MDL No:
Product Description
Catalog Number:
AG0025PE
Chemical Name:
3,3'(4H,4'H)-Spirobi[2H-1-benzopyran] (9CI)
CAS Number:
178-23-4
Molecular Formula:
C17H16O2
Molecular Weight:
252.3077
IUPAC Name:
3,3'-spirobi[2,4-dihydrochromene]
InChI:
InChI=1S/C17H16O2/c1-3-7-15-13(5-1)9-17(11-18-15)10-14-6-2-4-8-16(14)19-12-17/h1-8H,9-12H2
InChI Key:
UZODKQUUGXTBGF-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)CC1(CO2)COc2c(C1)cccc2
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.115g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.313g/mol
Monoisotopic Mass:
252.115g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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