AG005W4S

745783-88-4 | 6-Methoxy-2-naphthylglyoxal hydrate

AG005W4S

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CAS Number	745783-88-4
Catalog Number	AG005W4S(AGN-PC-0U5LL4)
Chemical Name	6-Methoxy-2-naphthylglyoxal hydrate
IUPAC Name	2-(6-methoxynaphthalen-2-yl)-2-oxoacetaldehyde;hydrate
InChI	InChI=1S/C13H10O3.H2O/c1-16-12-5-4-9-6-11(13(15)8-14)3-2-10(9)7-12;/h2-8H,1H3;1H2
InChI Key	YNILJUBMHVAHAW-UHFFFAOYSA-N
MDL Number	MFCD05664091
Molecular Formula	C13H10O3
Molecular Weight	214.2167
SMILES	COc1ccc2cc(ccc2c1)C(=O)C=O
Synonyms	6-Methoxy-2-naphthylglyoxal hydrate, 745783-88-4, 2-(6-methoxynaphthalen-2-yl)-2-oxoacetaldehyde hydrate, CTK5E0071, DTXSID20662982, AKOS005254842, AB22282, RP05588, RTR-024096, TR-024096, FT-0677416, Z-0142, I14-30610, (6-Methoxynaphthalen-2-yl)(oxo)acetaldehyde--water (1/1), 2-Naphthaleneacetaldehyde,6-methoxy-a-oxo-, hydrate (1:1), MFCD05664091, 1172293-10-5,

Complexity	274
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	232.074g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	232.235g/mol
Monoisotopic Mass	232.074g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	44.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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