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17811-32-4

17811-32-4 | 1(3H)-Isobenzofuranone, 4-methoxy-5-methyl-6-[(3-methyl-2-buten-1-yl)oxy]-

CAS No: 17811-32-4 Catalog No: AG0025RV MDL No:MFCD23103602

Product Description

Catalog Number:
AG0025RV
Chemical Name:
1(3H)-Isobenzofuranone, 4-methoxy-5-methyl-6-[(3-methyl-2-buten-1-yl)oxy]-
CAS Number:
17811-32-4
Molecular Formula:
C15H18O4
Molecular Weight:
262.3010
MDL Number:
MFCD23103602
IUPAC Name:
4-methoxy-5-methyl-6-(3-methylbut-2-enoxy)-3H-2-benzofuran-1-one
InChI:
InChI=1S/C15H18O4/c1-9(2)5-6-18-13-7-11-12(8-19-15(11)16)14(17-4)10(13)3/h5,7H,6,8H2,1-4H3
InChI Key:
BGCNHXQQGSIHRP-UHFFFAOYSA-N
SMILES:
COc1c(C)c(OCC=C(C)C)cc2c1COC2=O

Properties

Complexity:
359  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.121g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.305g/mol
Monoisotopic Mass:
262.121g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  

Literature

Title Journal
Porritoxins, metabolites of Alternaria porri, as anti-tumor-promoting active compounds. Natural product research 20060201
Natural zinniol derivatives from Alternaria tagetica. Isolation, synthesis, and structure-activity correlation. Journal of agricultural and food chemistry 20020227

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