AG007N3P

2445-81-0 | 2H-1-Benzopyran-2-one,8-methoxy-

AG007N3P

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CAS Number	2445-81-0
Catalog Number	AG007N3P(AGN-PC-0JS9AM)
Chemical Name	2H-1-Benzopyran-2-one,8-methoxy-
IUPAC Name	8-methoxychromen-2-one
InChI	InChI=1S/C10H8O3/c1-12-8-4-2-3-7-5-6-9(11)13-10(7)8/h2-6H,1H3
InChI Key	ODRDTKMYQDXVGG-UHFFFAOYSA-N
MDL Number	MFCD00016708
Molecular Formula	C10H8O3
Molecular Weight	176.1687
SMILES	O=C1OC2=C(C=CC=C2OC)C=C1
UNII	W3OIY9A2QE
Synonyms	8-methoxy chromen-2-one, 8-methoxychromen-2-one, 8-methoxycoumarin, 2445-81-0, Coumarin, 8-methoxy-, 2H-1-Benzopyran-2-one, 8-methoxy-, 8-Methoxy-2H-chromen-2-one, UNII-W3OIY9A2QE, W3OIY9A2QE, ODRDTKMYQDXVGG-UHFFFAOYSA-N, 2H-1-Benzopyran-2-one,8-methoxy-, 8-methoxy-coumarin, AC1LATRH, 8-methoxychromen-2-one, 8-Methoxycoumarin, AldrichCPR, CHEMBL503184, SCHEMBL2635928, CTK4F3718, 8-Methoxy-2H-chromen-2-one #, DTXSID20334258, 8-Methoxy-2H-1-benzopyran-2-one, ZINC2566047, FCH837408, MFCD00016708, AKOS000276696, ACM2445810, CS-0044982, FT-0705522, C-57495, CID520130,

Complexity	234
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	176.047g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	176.171g/mol
Monoisotopic Mass	176.047g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	35.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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