AG003CFQ

85483-97-2 | (S)-1-(BENZYLOXY)PROPAN-2-OL

AG003CFQ

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CAS Number	85483-97-2
Catalog Number	AG003CFQ(AGN-PC-0OJXNH)
Chemical Name	(S)-1-(BENZYLOXY)PROPAN-2-OL
IUPAC Name	(2S)-1-phenylmethoxypropan-2-ol
InChI	InChI=1S/C10H14O2/c1-9(11)7-12-8-10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3/t9-/m0/s1
InChI Key	KJBPYIUAQLPHJG-VIFPVBQESA-N
MDL Number	MFCD07367008
Molecular Formula	C10H14O2
Molecular Weight	166.2170
SMILES	C(C1=CC=CC=C1)OC[C@H](C)O
Synonyms	85483-97-2, (S)-1-(benzyloxy)propan-2-ol, (S)-(+)-1-Benzyloxy-2-propanol, (2S)-1-benzyloxypropan-2-ol, MFCD07367008, 2-Propanol, 1-(phenylmethoxy)-, (2S)-, 2-Propanol,1-(phenylmethoxy)-, (2S)-, SCHEMBL2181772, (S)-1-O-Benzylpropylene glycol, CTK5F5107, KJBPYIUAQLPHJG-VIFPVBQESA-N, (2S)-1-(benzyloxy)propan-2-ol, (S)-1-benzyloxy-2-hydroxypropane, ZINC394064, (2S)-1-(Benzyloxy)-2-propanol, KS-00000W8T, (+)-(S)-1-benzyloxy-2-propanol, CB0028, AKOS016843866, CS-W017736, DS-4548, LS30228, Benzyl (S)-(+)-2-Hydroxypropyl Ether, AJ-21340, CJ-03605, (S)-(+)-1-Benzyloxy-2-propanol, 97%, TC-172699, B4117, X5394, (S)-(+)-1-BENZYLOXY-2-PROPANOL 97, I01-7432, (s)-1-benzyloxy-2-propanol, C10H14O2,

Complexity	108
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
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	4
Topological Polar Surface Area	29.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

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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