2-[5-(4-Methylphenoxy)-1,3-dioxoisoindol-2-yl]benzoate

Update Time: 2025-04-25 16:51:01

	Common Name	2-[5-(4-Methylphenoxy)-1,3-dioxoisoindol-2-yl]benzoate	English Name	2-[5-(4-Methylphenoxy)-1,3-dioxoisoindol-2-yl]benzoate
	CAS NO.	N/A	Molecular Weight	372.3
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₂₂H₁₄NO₅-	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A
	Symbol	N/A	Signal Word	N/A

Properties

English Name	2-[5-(4-Methylphenoxy)-1,3-dioxoisoindol-2-yl]benzoate

Molecular Formula	C22H14NO5-
Molecular Weight	372.3
Exact Mass	372.08719755
LogP	4.50
Standard SMILES	Cc1ccc(Oc2ccc3c(c2)C(=O)N(c2ccccc2C(=O)[O-])C3=O)cc1
Canonical SMILES	CC1=CC=C(C=C1)OC2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=CC=C4C(=O)[O-]
Isomeric SMILES	CC1=CC=C(C=C1)OC2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=CC=C4C(=O)[O-]
Standard InChI Identifier	InChI=1S/C22H15NO5/c1-13-6-8-14(9-7-13)28-15-10-11-16-18(12-15)21(25)23(20(16)24)19-5-3-2-4-17(19)22(26)27/h2-12H,1H3,(H,26,27)/p-1
Standard InChI Key	GXGJXUPNDHXEFM-UHFFFAOYSA-M
Compound Complexity	621.00
computational chemistry	Hydrogen Bond Acceptor Count：5 Hydrogen Bond Donor Count：0 Rotatable Bond Count：3 Heavy Atom Count：28 Total Chiral Atom Count：0 Defined Chiral Atom Count：0 Undefined Chiral Atom Count：0 Total Chiral Bond Count：0 Defined Chiral Bond Count：0 Undefined Chiral Bond Count：0 Isotope Atom Count：0 Covalent Unit Count：1 Tautomer Count：-1 Monoisotopic Mass：372.08719755