AG003CA4

86990-91-2 | (R)-4-Benzyloxy-1,2-butanediol

AG003CA4

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CAS Number	86990-91-2
Catalog Number	AG003CA4(AGN-PC-0OKQQE)
Chemical Name	(R)-4-Benzyloxy-1,2-butanediol
IUPAC Name	(2R)-4-phenylmethoxybutane-1,2-diol
InChI	InChI=1S/C11H16O3/c12-8-11(13)6-7-14-9-10-4-2-1-3-5-10/h1-5,11-13H,6-9H2/t11-/m1/s1
InChI Key	TVRPDIKPMQUOSL-LLVKDONJSA-N
MDL Number	MFCD10000949
Molecular Formula	C11H16O3
Molecular Weight	196.2429
SMILES	OC[C@H](O)CCOCC1=CC=CC=C1
Synonyms	(R)-4-Benzyloxy-1,2-butanediol, 86990-91-2, SCHEMBL9068544, CTK5F7504, DTXSID30448037, TVRPDIKPMQUOSL-LLVKDONJSA-N, (R)-4-Benzyloxybutane-1,2-diol, ANW-38425, MFCD10000949, ZINC13380269, (R)-4-phenylmethoxy-1,2-butanediol, AKOS015839471, TR-027073, B2899, Y1253, 1,2-Butanediol,4-(phenylmethoxy)-, (2R)-, 1,2-Butanediol, 4-(phenylmethoxy)-, (2R)-, 4-phenylmethoxybutane-1,2-diol, C11H16O3, ( R )-4-Benzyloxy-1,2-butanediol, -4-BENZYLOXY-1,2-BUTANEDIOL, CID10910454,

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-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number