AG00GSVF

863309-86-8 | 5-Methoxychroman-4-one

AG00GSVF

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CAS Number	863309-86-8
Catalog Number	AG00GSVF(AGN-PC-00ONUP)
Chemical Name	5-Methoxychroman-4-one
IUPAC Name	5-methoxy-2,3-dihydrochromen-4-one
InChI	InChI=1S/C10H10O3/c1-12-8-3-2-4-9-10(8)7(11)5-6-13-9/h2-4H,5-6H2,1H3
InChI Key	NDMGXDPNMNYBFW-UHFFFAOYSA-N
MDL Number	MFCD09744053
Molecular Formula	C10H10O3
Molecular Weight	178.1846
SMILES	O=C1CCOC2=C1C(OC)=CC=C2
Synonyms	5-Methoxychroman-4-one, 5-Methoxy-4-Chromanone, 863309-86-8, AK119567, 5-methoxy-3,4-dihydro-2H-1-benzopyran-4-one, PubChem17923, SCHEMBL12316566, DTXSID70570669, 3503AC, CM-551, FCH869419, MFCD09744053, ZINC49588559, 5-methoxy-2,3-dihydrochromen-4-one, AKOS006332051, DS-5655, KS-00000R19, AJ-111357, AX8244983, ST2406303, FT-0659664, 5-Methoxy-2,3-dihydro-4H-1-benzopyran-4-one, A841610, I14-7320, Not Available, C10H10O3,

Complexity	202
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	178.063g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	178.187g/mol
Monoisotopic Mass	178.063g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	35.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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