AG003GL9

91968-71-7 | 2-Benzyloxy-2-methylpropan-1-ol

AG003GL9

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CAS Number	91968-71-7
Catalog Number	AG003GL9(AGN-PC-0VXJU7)
Chemical Name	2-Benzyloxy-2-methylpropan-1-ol
IUPAC Name	2-methyl-2-phenylmethoxypropan-1-ol
InChI	InChI=1S/C11H16O2/c1-11(2,9-12)13-8-10-6-4-3-5-7-10/h3-7,12H,8-9H2,1-2H3
InChI Key	FRHJVAJQSPVSKV-UHFFFAOYSA-N
MDL Number	MFCD08459314
Molecular Formula	C11H16O2
Molecular Weight	180.2435
SMILES	CC(C)(OCC1=CC=CC=C1)CO
Synonyms	2-BENZYLOXY-2-METHYLPROPAN-1-OL, 91968-71-7, 2-(benzyloxy)-2-methylpropan-1-ol, 2-benzyloxy-2-methyl-1-propanol, MFCD08459314, 2-Benzyloxyisobutanol, SCHEMBL283052, CTK5H0735, DTXSID50654734, FRHJVAJQSPVSKV-UHFFFAOYSA-N, 2-(Benzyloxy)-2-methyl-1-propanol, 3234AF, BBL102015, STL555814, ZINC12359131, AKOS005254418, MCULE-8183558361, 2-Methyl-2-(phenylmethoxy)propan-1-ol, SC-48398, SY247973, TR-028937, FT-0677982, MFCD08459314 (95%), Y-9860, I14-26984, C11H16O2,

Complexity	137
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	180.115g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	180.247g/mol
Monoisotopic Mass	180.115g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	29.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P280a-P304+P340-P305+P351+P338-P405-P501a
UN Code

Certificate of Analysis

Lot Number