AG003O46

890-98-2 | Benzyl-DL-mandelate

AG003O46

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CAS Number	890-98-2
Catalog Number	AG003O46(AGN-PC-0VOHWS)
Chemical Name	Benzyl-DL-mandelate
IUPAC Name	benzyl 2-hydroxy-2-phenylacetate
InChI	InChI=1S/C15H14O3/c16-14(13-9-5-2-6-10-13)15(17)18-11-12-7-3-1-4-8-12/h1-10,14,16H,11H2
InChI Key	JFKWZVQEMSKSBU-UHFFFAOYSA-N
MDL Number	MFCD00021856
Molecular Formula	C15H14O3
Molecular Weight	242.2699
NSC Number	9522
SMILES	O=C(OCC1=CC=CC=C1)C(O)C2=CC=CC=C2
Synonyms	azoniaspiro compound XVII, azoniaspiro(3 alpha-benziloyloxynortropane-8,1'- pyrrolidine) chloride, Ceris, Spasmex, Spasmo-lyt, Spasmo-Rhoival TC, Spasmo-Urgenin, Spasmo-Urgenin TC, Spasmolyt, Trospi, trospium chloride, Uraplex, Uraton, Benzyl DL-mandelate, benzyl 2-hydroxy-2-phenylacetate, 890-98-2, Benzylin, Spasmolyt, BENZYL MANDELATE, dl-Mandelic acid benzyl ester, Phenylglycolic acid benzyl ester, Mandelic acid, benzyl ester, Benzyl-dl-mandelate, NSC 9522, D-(-)-Mandelic Acid Benzyl Ester, JFKWZVQEMSKSBU-UHFFFAOYSA-N, 80409-16-1, Benzylmandelate, benzylmandelat, BenzylDL-Mandelate, EINECS 212-965-7, AI3-20078, Maybridge3_000939, Mandelic acid benzyl ester, Benzyl hydroxy(phenyl)acetate, SCHEMBL536227, AC1L21S0, AC1Q76J4, AC1Q76J5, Benzeneacetic acid, .alpha.-hydroxy-, phenylmethyl ester, CHEMBL3546284, benzyl-2-hydroxy-2-phenylacetate, NSC9522, 2-Phenylglycolic acid benzyl ester, HMS1433K15, BCP17346, KS-000015QE, NSC-9522, Mandelic acid, benzyl ester (8CI), 6280AF, MFCD00021856, AKOS024302275, AM81397, MCULE-6105239619, IDI1_012326, AK115949, SC-08914, AB0136779, M0711, A24810, Benzeneacetic acid, alpha-hydroxy-, phenylmethyl ester (9CI), R)-Benzyl mandelate; D-(-)-Mandelic acid benzyl ester;Benzyl d-(-)-mandelate;Benzyl (r)-(-)-mandelate, Benzyl (1)-glycolate, Benzyl (+-)-glycolate, UNII-2QN49PWH71, Benzyl D-(-)-Mandelate, Benzyl L-(+)-Mandelate, (R)-Benzyl 2-hydroxy-2-phenylacetate, 2QN49PWH71, C15H14O3, CID13461, L-(+)-Mandelic Acid Benzyl Ester, EINECS 279-458-0, (S)-benzyl 2-hydroxy-2-phenylacetate, C15-H14-O3, 97415-09-3, BENZENEACETIC ACID, PHENYLMETHYL ESTER, 62173-99-3,

Complexity	253
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	242.094g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	242.274g/mol
Monoisotopic Mass	242.094g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302
Precuationary statements	P280-P305+P351+P338
Siginal words

Certificate of Analysis

Lot Number