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144398-34-5 | 7H-Furo[3,2-g][1]benzopyran-7-one, 9-[[(2E,5E)-7-hydroxy-3,7-dimethyl-2,5-octadien-1-yl]oxy]-
CAS No: 144398-34-5 Catalog No: AG001JGA MDL No:MFCD20260623
Product Description
Catalog Number:
AG001JGA
Chemical Name:
7H-Furo[3,2-g][1]benzopyran-7-one, 9-[[(2E,5E)-7-hydroxy-3,7-dimethyl-2,5-octadien-1-yl]oxy]-
CAS Number:
144398-34-5
Molecular Formula:
C21H22O5
Molecular Weight:
354.3964
MDL Number:
MFCD20260623
IUPAC Name:
9-[(2E,5E)-7-hydroxy-3,7-dimethylocta-2,5-dienoxy]furo[3,2-g]chromen-7-one
InChI:
InChI=1S/C21H22O5/c1-14(5-4-10-21(2,3)23)8-11-25-20-18-16(9-12-24-18)13-15-6-7-17(22)26-19(15)20/h4,6-10,12-13,23H,5,11H2,1-3H3/b10-4+,14-8+
InChI Key:
YOQCKFCFAJIRRT-OVXNXNIRSA-N
SMILES:
C/C(=C\COc1c2occc2cc2c1oc(=O)cc2)/C/C=C/C(O)(C)C
Properties
Complexity:
604
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
354.147g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
354.402g/mol
Monoisotopic Mass:
354.147g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
68.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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