AG000DPG

117087-18-0 | 1,3-Propanediol, 2-[(phenylmethoxy)methyl]-

AG000DPG

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CAS Number	117087-18-0
Catalog Number	AG000DPG(AGN-PC-0N16HR)
Chemical Name	1,3-Propanediol, 2-[(phenylmethoxy)methyl]-
IUPAC Name	2-(phenylmethoxymethyl)propane-1,3-diol
InChI	InChI=1S/C11H16O3/c12-6-11(7-13)9-14-8-10-4-2-1-3-5-10/h1-5,11-13H,6-9H2
InChI Key	UMRWMXZIGBWCQD-UHFFFAOYSA-N
MDL Number	MFCD20482799
Molecular Formula	C11H16O3
Molecular Weight	196.2429
SMILES	OCC(COCC1=CC=CC=C1)CO
Synonyms	117087-18-0, 2-((BENZYLOXY)METHYL)PROPANE-1,3-DIOL, 2-[(benzyloxy)methyl]propane-1,3-diol, 2-benzyloxymethyl-propane-1,3-diol, 2-(phenylmethoxymethyl)propane-1,3-diol, SCHEMBL1865158, KS-00000SZC, DTXSID70437167, UMRWMXZIGBWCQD-UHFFFAOYSA-N, 2-benzyloxymethyl-1,3-propanediol, MFCD20482799, ZINC38416582, AKOS025291113, DS-7616, SB18517, AK171410, CS-0054529, 1,3-Propanediol, 2-[(phenylmethoxy)methyl]-, CID10241782,

Complexity	129
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	196.11g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	196.246g/mol
Monoisotopic Mass	196.11g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	49.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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