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Home > Other Heterocycles > 87035-60-7
87035-60-7 | 3',6'-dihydroxy-4-(prop-2-en-1-yl)-3h-spiro[2-benzofuran-1,9'-xanthen]-3-one
CAS No: 87035-60-7 Catalog No: AG004JWW MDL No:
Product Description
Catalog Number:
AG004JWW
Chemical Name:
3',6'-dihydroxy-4-(prop-2-en-1-yl)-3h-spiro[2-benzofuran-1,9'-xanthen]-3-one
CAS Number:
87035-60-7
Molecular Formula:
C23H16O5
Molecular Weight:
372.3701
IUPAC Name:
3',6'-dihydroxy-7-prop-2-enylspiro[2-benzofuran-3,9'-xanthene]-1-one
InChI:
InChI=1S/C23H16O5/c1-2-4-13-5-3-6-18-21(13)22(26)28-23(18)16-9-7-14(24)11-19(16)27-20-12-15(25)8-10-17(20)23/h2-3,5-12,24-25H,1,4H2
InChI Key:
OBFQUSYTAIJWAB-UHFFFAOYSA-N
SMILES:
C=CCc1cccc2c1C(=O)OC12c2ccc(cc2Oc2c1ccc(c2)O)O
Properties
Complexity:
607
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
372.1g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
372.376g/mol
Monoisotopic Mass:
372.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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