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24766-47-0 | 1-Isobenzofuranacetic acid, 1,3-dihydro-4-methyl-3-oxo-1-phenyl-
CAS No: 24766-47-0 Catalog No: AG002PD3 MDL No:
Product Description
Catalog Number:
AG002PD3
Chemical Name:
1-Isobenzofuranacetic acid, 1,3-dihydro-4-methyl-3-oxo-1-phenyl-
CAS Number:
24766-47-0
Molecular Formula:
C17H14O4
Molecular Weight:
282.2907
IUPAC Name:
2-(4-methyl-3-oxo-1-phenyl-2-benzofuran-1-yl)acetic acid
InChI:
InChI=1S/C17H14O4/c1-11-6-5-9-13-15(11)16(20)21-17(13,10-14(18)19)12-7-3-2-4-8-12/h2-9H,10H2,1H3,(H,18,19)
InChI Key:
JNWREOQIKVABPK-UHFFFAOYSA-N
SMILES:
OC(=O)CC1(OC(=O)c2c1cccc2C)c1ccccc1
NSC Number:
171691
Properties
Complexity:
427
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.089g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
282.295g/mol
Monoisotopic Mass:
282.089g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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