AG003KT1

71998-70-4 | 4-Benzyloxy-1,3-butanediol

AG003KT1

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CAS Number	71998-70-4
Catalog Number	AG003KT1(AGN-PC-00LBLL)
Chemical Name	4-Benzyloxy-1,3-butanediol
IUPAC Name	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
InChI Key	ZVVBUAFZGGHYAO-UHFFFAOYSA-N
MDL Number	MFCD11846119
Molecular Formula	C11H16O3
Molecular Weight	196.2429
SMILES	OCCC(O)COCC1=CC=CC=C1
Synonyms	4-Benzyloxy-1,3-butanediol, 71998-70-4, 4-(BENZYLOXY)BUTANE-1,3-DIOL, (R)-4-(Benzyloxy)butane-1,3-diol, (S)-4-(Benzyloxy)butane-1,3-diol, ACMC-209olc, ACMC-209pko, ACMC-209q5w, 4-phenylmethoxybutane-1,3-diol, SCHEMBL20432563, CTK5D5352, DTXSID60525289, 1,3-Butanediol,4-(phenylmethoxy)-, ANW-36142, MFCD11846119, 4-Benzyloxy-1,3-butanediol , 97%, (3R)-4-phenylmethoxybutane-1,3-diol, (3S)-4-phenylmethoxybutane-1,3-diol, FCH1123031, AK175067, TC-124887, (R)-4-Benzyloxy-1,3-butanediol, (S)-4-Benzyloxy-1,3-butanediol, B3326, 81096-93-7, 85418-23-1,

Complexity	133
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	1
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

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