AG006JYX

66582-32-9 | 1-PROPANOL, 2,2-DIMETHYL-3-(PHENYLMETHOXY)-

AG006JYX

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CAS Number	66582-32-9
Catalog Number	AG006JYX(AGN-PC-0NGBU3)
Chemical Name	1-PROPANOL, 2,2-DIMETHYL-3-(PHENYLMETHOXY)-
IUPAC Name	2,2-dimethyl-3-phenylmethoxypropan-1-ol
InChI	InChI=1S/C12H18O2/c1-12(2,9-13)10-14-8-11-6-4-3-5-7-11/h3-7,13H,8-10H2,1-2H3
InChI Key	SGGGHAPHBMPBBV-UHFFFAOYSA-N
MDL Number	MFCD00233351
Molecular Formula	C12H18O2
Molecular Weight	194.2701
SMILES	OCC(C)(C)COCC1=CC=CC=C1
Synonyms	3-(benzyloxy)-2,2-dimethylpropan-1-ol, 66582-32-9, 1-Propanol, 2,2-dimethyl-3-(phenylmethoxy)-, 3-benzyloxy-2,2-dimethyl-propan-1-ol, 2,2-Dimethyl-3-phenylmethoxypropan-1-ol, 910389-36-5, SCHEMBL3957626, CTK1J4579, DTXSID80456167, SGGGHAPHBMPBBV-UHFFFAOYSA-N, ZINC2559872, 3-Benzyloxy-2,2-dimethylpropan-1-ol, AKOS019788220, 2,2-dimethyl-3-(phenylmethoxy)propanol, 2,2-Dimethyl-3-(benzyloxy)-1-propanol, 2,2-Dimethyl-3-(phenylmethoxy)-propanol, AK544570, DS-19337, CS-0060977, A1-03974, CID11127143, 2,2-dimethyl-3-phenylmethoxy-propan-1-ol,

Complexity	148
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	194.131g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	194.274g/mol
Monoisotopic Mass	194.131g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	29.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

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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