AG00IA8Y

575-61-1 | 1(3H)-Isobenzofuranone, 3-(phenylmethylene)-

AG00IA8Y

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CAS Number	575-61-1
Catalog Number	AG00IA8Y(AGN-PC-0JL8H9)
Chemical Name	1(3H)-Isobenzofuranone, 3-(phenylmethylene)-
EC Number	209-388-8
IUPAC Name	(3Z)-3-benzylidene-2-benzofuran-1-one
InChI	InChI=1S/C15H10O2/c16-15-13-9-5-4-8-12(13)14(17-15)10-11-6-2-1-3-7-11/h1-10H/b14-10-
InChI Key	YRTPZXMEBGTPLM-UVTDQMKNSA-N
MDL Number	MFCD00005929
Molecular Formula	C15H10O2
Molecular Weight	222.2387
NSC Number	2824
SMILES	O=C1O/C(C2=C1C=CC=C2)=CC3=CC=CC=C3
UNII	R93GN14K61
Synonyms	benzylidenephthalide, Benzalphthalide, 575-61-1, 3-Benzylideneisobenzofuran-1(3H)-one, 3-Benzalphthalide, 3-Benzylidenephthalide, (Z)-3-Benzylidenephthalide, (3Z)-3-Benzylidene-2-benzofuran-1(3H)-one, UNII-R93GN14K61, CHEMBL67365, R93GN14K61, MFCD00005929, 1(3H)-isobenzofuranone, 3-(phenylmethylene)-, (3Z)-, Phthalide, 3-benzylidene-, 1(3H)-Isobenzofuranone, 3-(phenylmethylene)-, Benzalphthalide, (Z)-, 3-(phenylmethylene)isobenzofuran-1-one, 4767-56-0, Benzalphthalid, 3-benzylidene-2-benzofuran-1(3h)-one, AC1LD4UY, MLS000584766, SCHEMBL214423, ZINC80737, NSC2824, CHEBI:113035, YRTPZXMEBGTPLM-UVTDQMKNSA-N, HMS1610I16, HMS2619E19, NSC-2824, BBL027545, BDBM50441021, GK6397, SBB069530, STK862417, AKOS000567737, (3Z)-3-benzylideneisobenzofuran-1-one, RP27385, (3Z)-3-benzylidene-2-benzofuran-1-one, NCGC00245849-01, AC-11676, AJ-10509, AK139905, SMR000203729, ZB002850, (Z)-3-benzylideneisobenzofuran-1(3H)-one, AX8021570, ST24041795, ST50186392, (3Z)-3-Benzylidene-2-benzofuran-1(3H)-one #, AE-641/05032029, SR-01000438153, S14-1111, SR-01000438153-1, 1(3H)-Isobenzofuranone, 3-(phenyl)methylene]-, (3Z)-, UNII-N2S40871LM component YRTPZXMEBGTPLM-UVTDQMKNSA-N, InChI=1/C15H10O2/c16-15-13-9-5-4-8-12(13)14(17-15)10-11-6-2-1-3-7-11/h1-10H/b14-10, Benzylidenephthalide, Escalol 547, 3- benzylidenephthalide, UNII-N2S40871LM, NSC 2824, EINECS 209-388-8, CID642371, C15-H10-O2, BRN 0083797, AI3-17979, B1214, EC 209-388-8, 5-17-10-00577 (Beilstein Handbook Reference),

Complexity	326
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	222.068g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	222.243g/mol
Monoisotopic Mass	222.068g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
UN Code

Certificate of Analysis

Lot Number