AG001Z49

17369-59-4 | 1(3H)-Isobenzofuranone, 3-propylidene-

AG001Z49

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CAS Number	17369-59-4
Catalog Number	AG001Z49(AGN-PC-0JKK3X)
Chemical Name	1(3H)-Isobenzofuranone, 3-propylidene-
EC Number	241-402-8
FEMA Number	2952
IUPAC Name	(3Z)-3-propylidene-2-benzofuran-1-one
InChI	InChI=1S/C11H10O2/c1-2-5-10-8-6-3-4-7-9(8)11(12)13-10/h3-7H,2H2,1H3/b10-5-
InChI Key	NGSZDVVHIGAMOJ-YHYXMXQVSA-N
MDL Number	MFCD00051813
Molecular Formula	C11H10O2
Molecular Weight	174.1959
SMILES	C(CC)=C1OC(C2=CC=CC=C12)=O
UNII	LU204L9C7Y
Synonyms	3-PROPYLIDENEPHTHALIDE, 3-Propylideneisobenzofuran-1(3H)-one, 17369-59-4, Phthalide, 3-propylidene-, UNII-LU204L9C7Y, Propylidene phthalide, 3-Propylidene phthalide, LU204L9C7Y, 3-propylidene-3H-isobenzofuran-1-one, 1(3H)-Isobenzofuranone, 3-propylidene-, FEMA No. 2952, CCRIS 4708, EINECS 241-402-8, 94704-89-9, 3-propylideneisobenzofuran-1-one, MFCD00051813, 3-Propylidenephthalide, (3Z)-, FEMA No. 2952, Z-, AC1NT0GN, 1(3H)-Isobenzofuranone, 3-propylidene-, (3Z)-, CHEMBL401203, NGSZDVVHIGAMOJ-YHYXMXQVSA-N, ZINC156636, SBB058029, AKOS022181524, (3Z)-3-propylidene-2-benzofuran-1-one, NCGC00091892-02, AJ-13855, AK-60955, ZB006403, 3-N-PROPYLIDENEPHTHALIDE, (E)+(Z), TC-111418, P1824, ST24042427, 3-[(Z)-Propylidene]isobenzofuran-1(3H)-one, (3Z)-3-Propylidene-2-benzofuran-1(3H)-one #, UNII-WHD8YJ226P component NGSZDVVHIGAMOJ-YHYXMXQVSA-N, 3-Propylidenephthalide, mixture of isomers, analytical standard, 3-Propylidenephthalide, mixture of cis and trans isomers, >=96%, FG, Propylidenephthalide, Isopropylidenephthalide, UNII-WHD8YJ226P, 3 - propylidenephthalide, WHD8YJ226P, 3-Propylidene-1(3H)-isobenzofuranone, Phthalide, 3-propylidene (6CI,8CI), C11-H10-O2, CID5373603, 1(3H)-Isobenzofuranone, 3-propylidene-, (Z)-,

Complexity	243
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	174.068g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	174.199g/mol
Monoisotopic Mass	174.068g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H317
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

Lot Number