AG00G25X

774-40-3 | DL-Mandelic Acid Ethyl Ester

AG00G25X

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CAS Number	774-40-3
Catalog Number	AG00G25X(AGN-PC-0UBPNE)
Chemical Name	DL-Mandelic Acid Ethyl Ester
IUPAC Name	ethyl 2-hydroxy-2-phenylacetate
InChI	InChI=1S/C10H12O3/c1-2-13-10(12)9(11)8-6-4-3-5-7-8/h3-7,9,11H,2H2,1H3
InChI Key	SAXHIDRUJXPDOD-UHFFFAOYSA-N
MDL Number	MFCD00004494
Molecular Formula	C10H12O3
Molecular Weight	180.2005
NSC Number	5307
SMILES	OC(C1=CC=CC=C1)C(OCC)=O
Synonyms	ethyl mandelate, ethyl mandelate, (+-)-isomer, ethyl mandelate, (R)-isomer, ethyl mandelate, (S)-isomer, ETHYL MANDELATE, 774-40-3, ethyl 2-hydroxy-2-phenylacetate, Ethyl phenylglycolate, 4358-88-7, DL-MANDELIC ACID ETHYL ESTER, Mandelic acid ethyl ester, Mandelic acid, ethyl ester, Ethyl dl-mandelate, Ethyl hydroxy(phenyl)acetate, Mandelsaeureaethylester, NSC 5307, Mandelsaeureaethylester [German], (+)-Ethyl Mandelate, Ethyl D-(-)-Mandelate, EINECS 212-263-0, BRN 0975233, AI3-01643, Ethyl alpha-hydroxyphenylacetate, CHEBI:38750, SAXHIDRUJXPDOD-UHFFFAOYSA-N, Benzeneacetic acid, .alpha.-hydroxy-, ethyl ester, MFCD00004494, Ethyl L-(+)-Mandelate, EthylD-(-)-Mandelate, Ethyl hydroxy(phenyl)acetate #, Mandelic acid ethyl, Ethyl DL -mandelate, Ethyl (+-)-alpha-hydroxybenzeneacetate, PubChem10349, (+/-)-Ethyl mandelate, Mandelic acid ethyl ester|, WLN: QYR&VO2, Benzeneacetic acid, alpha-hydroxy-, ethyl ester, (R)-, AC1L20XH, Benzeneacetic acid, .alpha.-hydroxy-, ethyl ester, (R)-, DSSTox_CID_31618, DSSTox_RID_97502, DSSTox_GSID_57829, 2-10-00-00121 (Beilstein Handbook Reference), SCHEMBL279960, AC1Q325X, CHEMBL165662, Ethyl2-Hydroxy-2-phenylacetate, Benzeneacetic acid, alpha-hydroxy-, ethyl ester, (+-)-, DTXSID6057829, CTK8E8064, NSC5307, KS-000010GU, NSC-5307, ethyl 2-oxidanyl-2-phenyl-ethanoate, Tox21_113879, SBB065016, AKOS008952825, AM81399, Hydroxy-Phenyl-Acetic Acid Ethyl Ester, MCULE-7131209820, VZ36251, NCGC00253766-01, AC-19778, CAS-774-40-3, LS-89116, SY017475, SY017476, 2-hydroxy-2-phenylacetic acid ethyl ester, (R)-Hydroxy-phenyl-acetic acid ethyl ester, TL8005317, TR-001225, TR-024742, A2020, Benzeneacetic acid, a-hydroxy-, ethyl ester, FT-0658599, FT-0659176, M0039, ST50406494, V0573, KS-00000948, Benzeneacetic acid, alpha-hydroxy-, ethyl ester, S-8094, MFCD00064248 (97+%), MFCD00064249 (97+%), A826337, SR-01000944728, I01-6696, S01-0338, SR-01000944728-1, Benzeneacetic acid, alpha-hydroxy-, ethyl ester (9CI), F0001-1997, InChI=1/C10H12O3/c1-2-13-10(12)9(11)8-6-4-3-5-7-8/h3-7,9,11H,2H2,1H, ETHYLMANDELATE, Ethyl (R)-(-)-mandelate, Ethyl (S)-(+)-mandelate, Benzeneacetic acid, ethyl ester, L-(+)-Mandelic Acid Ethyl Ester, C10H12O3, CID13050, C10-H12-O3, Ethyl mandelate, 98% - 100G 100g, 10606-72-1, 13704-09-1,

Complexity	162
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	180.079g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	180.203g/mol
Monoisotopic Mass	180.079g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H319
Packing Group
Precautionary statements	P264-P280-P305+P351+P338+P337+P313
UN Code

Certificate of Analysis

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