AG002K49

20924-56-5 | 1H-2-Benzopyran-4(3H)-one

AG002K49

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CAS Number	20924-56-5
Catalog Number	AG002K49(AGN-PC-0NINBY)
Chemical Name	1H-2-Benzopyran-4(3H)-one
IUPAC Name	1H-isochromen-4-one
InChI	InChI=1S/C9H8O2/c10-9-6-11-5-7-3-1-2-4-8(7)9/h1-4H,5-6H2
InChI Key	OYXTZAZUFUWSIR-UHFFFAOYSA-N
MDL Number	MFCD09744058
Molecular Formula	C9H8O2
Molecular Weight	148.1586
SMILES	O=C1c2c(COC1)cccc2
Synonyms	isochroman-4-one, 20924-56-5, 3,4-dihydro-1H-2-benzopyran-4-one, 1H-2-Benzopyran-4(3H)-one, 4-ISOCHROMANONE, 1H-isochromen-4(3H)-one, 1H-2-Benzopyran-4-ol, AldrichCPR, 1H-isochromen-4-one, ACMC-209yvn, SCHEMBL135207, CTK0J9691, DTXSID40491796, OYXTZAZUFUWSIR-UHFFFAOYSA-N, 1,3-dihydro-2-benzopyran-4-one, ACT06487, BCP27335, ANW-49473, CI-018, MFCD09744058, ZINC20975207, AKOS006345298, CS-W003634, PB14717, RP09557, RP21205, RTC-063066, AC-30171, AJ-78029, AK-28247, AS-30739, BR-28247, CJ-16783, SC-27836, SY030590, AB0023345, DB-001038, ST2413144, TC-063066, 4CH-007901, AM20030326, FT-0660890, W4380, MFCD09744058 (95%), C-8530, A815022, I14-10310, Z1741968932, Not Available, C9H8O2, ACN-046722, A15365, Isochroman-4-one; 1H-2-Benzopyran-4(3H)-one; 1H-Isochromen-4-ol, 4385-35-7,

Complexity	165
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	148.052g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	148.161g/mol
Monoisotopic Mass	148.052g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number