AG003CA5

81096-93-7 | (R)-4-Benzyloxy-1,3-butanediol

AG003CA5

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CAS Number	81096-93-7
Catalog Number	AG003CA5(AGN-PC-0OIHRB)
Chemical Name	(R)-4-Benzyloxy-1,3-butanediol
IUPAC Name	(3R)-4-phenylmethoxybutane-1,3-diol
InChI	InChI=1S/C11H16O3/c12-7-6-11(13)9-14-8-10-4-2-1-3-5-10/h1-5,11-13H,6-9H2/t11-/m1/s1
InChI Key	ZVVBUAFZGGHYAO-LLVKDONJSA-N
MDL Number	MFCD11846117
Molecular Formula	C11H16O3
Molecular Weight	196.2429
SMILES	OCC[C@@H](O)COCC1=CC=CC=C1
Synonyms	(R)-4-Benzyloxy-1,3-butanediol, 81096-93-7, (R)-4-(Benzyloxy)butane-1,3-diol, CTK5E8457, DTXSID30453424, ANW-37414, ZINC34618980, AKOS015839316, (2R)-1-(Benzyloxy)butane-2,4-diol, TR-025538, B2901, 1,3-Butanediol,4-(phenylmethoxy)-, (3R)-, -4-Benzyloxy-1,3-butanediol, (S)-4-Benzyloxy-1,3-butanediol, ( R )-4-Benzyloxy-1,3-butanediol, (3R)-4-phenylmethoxybutane-1,3-diol, CID11052557, 85418-23-1,

Complexity	133
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
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	0.6

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

Lot Number