AG00APS4

184901-84-6 | Benzeneacetic acid, a,4-dihydroxy-, hydrate (1:1)OTHER CA INDEX NAMES:Benzeneacetic acid, a,4-dihydroxy-, monohydrate

AG00APS4

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CAS Number	184901-84-6
Catalog Number	AG00APS4(AGN-PC-0QDQW5)
Chemical Name	Benzeneacetic acid, a,4-dihydroxy-, hydrate (1:1)OTHER CA INDEX NAMES:Benzeneacetic acid, a,4-dihydroxy-, monohydrate
EC Number	230-569-2
IUPAC Name	2-hydroxy-2-(4-hydroxyphenyl)acetic acid;hydrate
InChI	InChI=1S/C8H8O4.H2O/c9-6-3-1-5(2-4-6)7(10)8(11)12;/h1-4,7,9-10H,(H,11,12);1H2
InChI Key	ATPBHLAWGXOMOR-UHFFFAOYSA-N
MDL Number	MFCD00004234
Molecular Formula	C8H10O5
Molecular Weight	186.1620
SMILES	O.OC(C(O)=O)C1=CC=C(O)C=C1
Synonyms	184901-84-6, 2-Hydroxy-2-(4-hydroxyphenyl)acetic acid hydrate, 4-Hydroxymandelic acid monohydrate, DL-4-HYDROXYMANDELIC ACID MONOHYDRATE, MFCD00149283, AK-90811, 7198-10-9, 4-Hydroxymandelic Acid Hydrate, SCHEMBL564812, CTK8C4250, KS-00000YMH, KS-00000ZLJ, DTXSID00506557, ATPBHLAWGXOMOR-UHFFFAOYSA-N, 3-Hydroxymandelic Acid Monohydrate, ANW-71387, AKOS015963219, CS-W016914, ACM184901846, AS-12063, AX8126364, RT-020420, ST24028029, M-2492, Hydroxy(4-hydroxyphenyl)acetic acid--water (1/1), hydroxy-(4-hydroxy-phenyl)-acetic acid monohydrate, J-011853, BENZENEACETIC ACID, A,4-DIHYDROXY-, HYDRATE (1:1), p-Hydroxymandelic acid, C8H10O5, DL-4-HYDROXYMANDELICACIDMONOHYDRATE, 2-hydroxy-2-(4-hydroxyphenyl)acetic acid,

Complexity	160
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	186.053g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	186.163g/mol
Monoisotopic Mass	186.053g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	78.8A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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