AG007ITC

3376-59-8 | 2,3-Dihydroxypropyl benzoate

AG007ITC

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CAS Number	3376-59-8
Catalog Number	AG007ITC(AGN-PC-0R9AVK)
Chemical Name	2,3-Dihydroxypropyl benzoate
IUPAC Name	2,3-dihydroxypropyl benzoate
InChI	InChI=1S/C10H12O4/c11-6-9(12)7-14-10(13)8-4-2-1-3-5-8/h1-5,9,11-12H,6-7H2
InChI Key	SFCPXHKCMRZQAC-UHFFFAOYSA-N
MDL Number	MFCD01084321
Molecular Formula	C10H12O4
Molecular Weight	196.1999
SMILES	O=C(OCC(O)CO)C1=CC=CC=C1
Synonyms	2,3-dihydroxypropyl benzoate, 3376-59-8, 1-Monobenzoylglycerol, AK162382, 2,3-dihydroxypropylbenzoate, glycerol benzoate, 1-benzoyl glycerol, 1-o-benzoylglycerin, AC1L3BNA, (-)-1-benzoyl glycerol, SCHEMBL3391, 1,2,3-Propanetriol,1-benzoate, CTK4H1208, SFCPXHKCMRZQAC-UHFFFAOYSA-N, MFCD01084321, (+/-)-2,3-dihydroxypropyl benzoate, AKOS024464626, DS-7788, MCULE-4692738472, AX8294675, CID137911, ZINC00518264,

Complexity	175
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	196.074g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	196.202g/mol
Monoisotopic Mass	196.074g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	66.8A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1

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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