AG003CV7

4317-61-7 | 1-(o-Tolyloxy)propan-2-ol

AG003CV7

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CAS Number	4317-61-7
Catalog Number	AG003CV7(AGN-PC-0JLFTB)
Chemical Name	1-(o-Tolyloxy)propan-2-ol
IUPAC Name	1-(2-methylphenoxy)propan-2-ol
InChI	InChI=1S/C10H14O2/c1-8-5-3-4-6-10(8)12-7-9(2)11/h3-6,9,11H,7H2,1-2H3
InChI Key	ISIQEWJJVXFCDP-UHFFFAOYSA-N
MDL Number	MFCD00191542
Molecular Formula	C10H14O2
Molecular Weight	166.2170
SMILES	CC(O)COC1=CC=CC=C1C
Synonyms	1-(2-Methylphenoxy)-2-propanol, 4317-61-7, 1-(o-Tolyloxy)propan-2-ol, 1-(o-Tolyloxy)-2-propanol, BRN 2963088, 2-Propanol, 1-(o-tolyloxy)-, 1-(2-methylphenoxy)propan-2-ol, 1-(2-Methylphenoxy)-2-propanol, AldrichCPR, o-Cresoxy-2-propanol, ACMC-209jt6, 4-06-00-01949 (Beilstein Handbook Reference), Propanol, 1(or 2)-phenoxy-, AC1L31T2, AC1Q57N9, SCHEMBL3629149, CHEMBL3277200, CTK4I7134, 2-Propanol,1-(2-methylphenoxy)-, 3-(2-methylphenoxy) propan-2-ol, KS-000013ST, ANW-29944, MFCD00191542, AKOS009159235, LS-122681, TC-118689, FT-0690623, M1063, I14-91232, 1- -2-propanol, KST-1B4408, 2-Propanol, 1-(2-methylphenoxy)-, AR-1B1036, CID107264, C10-H14-O2, 4695-90-3, 41593-38-8,

Complexity	125
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	166.099g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	166.22g/mol
Monoisotopic Mass	166.099g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	29.5A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
UN Code

Certificate of Analysis

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