AG00CLKV

36132-95-3 | 4-Methoxy-1,2-benzenedimethanol

AG00CLKV

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CAS Number	36132-95-3
Catalog Number	AG00CLKV(AGN-PC-0NJH3N)
Chemical Name	4-Methoxy-1,2-benzenedimethanol
IUPAC Name	[2-(hydroxymethyl)-4-methoxyphenyl]methanol
InChI	InChI=1S/C9H12O3/c1-12-9-3-2-7(5-10)8(4-9)6-11/h2-4,10-11H,5-6H2,1H3
InChI Key	MGCMGVSCUAVGLK-UHFFFAOYSA-N
MDL Number	MFCD15147230
Molecular Formula	C9H12O3
Molecular Weight	168.1898
SMILES	OCC1=CC=C(OC)C=C1CO
Synonyms	4-Methoxy-1,2-benzenedimethanol, 36132-95-3, 1,2-Benzenedimethanol, 4-methoxy-, (4-METHOXY-1,2-PHENYLENE)DIMETHANOL, 4-Methoxybenzene-1,2-dimethanol, MGCMGVSCUAVGLK-UHFFFAOYSA-N, SCHEMBL2061056, CTK8B5050, DTXSID90503171, ANW-47230, MFCD15147230, ZINC66325578, AKOS015890717, (4-methoxybenzene-1,2-diyl)dimethanol, FCH1187196, AS-31444, BR-49724, EN002408, SC-33968, AB0024477, AJ-116010, AX8164173, TC-135975, (2-Hydroxymethyl-4-methoxy-phenyl)-methanol, [2-(hydroxymethyl)-4-methoxyphenyl]methanol, ST24029141, W5759, S-5811, I01-8110, C9H12O3,

Complexity	127
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	168.079g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	168.192g/mol
Monoisotopic Mass	168.079g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	49.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P260-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338
UN Code

Certificate of Analysis

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