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24766-48-1 | 1-Isobenzofuranacetic acid, 1,3-dihydro-4,7-dimethyl-3-oxo-1-phenyl-
CAS No: 24766-48-1 Catalog No: AG002PD2 MDL No:
Product Description
Catalog Number:
AG002PD2
Chemical Name:
1-Isobenzofuranacetic acid, 1,3-dihydro-4,7-dimethyl-3-oxo-1-phenyl-
CAS Number:
24766-48-1
Molecular Formula:
C18H16O4
Molecular Weight:
296.3172
IUPAC Name:
2-(4,7-dimethyl-3-oxo-1-phenyl-2-benzofuran-1-yl)acetic acid
InChI:
InChI=1S/C18H16O4/c1-11-8-9-12(2)16-15(11)17(21)22-18(16,10-14(19)20)13-6-4-3-5-7-13/h3-9H,10H2,1-2H3,(H,19,20)
InChI Key:
AMLFEXKTSNOCFH-UHFFFAOYSA-N
SMILES:
OC(=O)CC1(OC(=O)c2c1c(C)ccc2C)c1ccccc1
NSC Number:
171692
Properties
Complexity:
454
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.105g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
296.322g/mol
Monoisotopic Mass:
296.105g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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