AG00ICRP

76822-21-4 | BENZENEPROPANOIC ACID, A,3,4-TRIHYDROXY-, (AR)-

AG00ICRP

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CAS Number	76822-21-4
Catalog Number	AG00ICRP(AGN-PC-0UAK87)
Chemical Name	BENZENEPROPANOIC ACID, A,3,4-TRIHYDROXY-, (AR)-
IUPAC Name	(2R)-3-(3,4-dihydroxyphenyl)-2-hydroxypropanoic acid
InChI	InChI=1S/C9H10O5/c10-6-2-1-5(3-7(6)11)4-8(12)9(13)14/h1-3,8,10-12H,4H2,(H,13,14)/t8-/m1/s1
InChI Key	PAFLSMZLRSPALU-MRVPVSSYSA-N
MDL Number	MFCD09750417
Molecular Formula	C9H10O5
Molecular Weight	198.1727
SMILES	O=C(O)[C@H](O)CC1=CC=C(O)C(O)=C1
Synonyms	(3,4-dihydroxyphenyl)lactic acid, 3,4-dihydroxyphenyllactic acid, 3,4-dihydroxyphenyllactic acid, (+-)-isomer, 3,4-dihydroxyphenyllactic acid, (R)-isomer, 3,4-dihydroxyphenyllactic acid, monosodium salt, 3,4-dihydroxyphenyllactic acid, monosodium salt, (+-)-isomer, 3,4-dihydroxyphenyllactic acid, monosodium salt, (R)-isomer, danshensu, salvianic acid A sodium, Danshensu, 76822-21-4, Salvianic acid A, (R)-3-(3,4-Dihydroxyphenyl)-2-hydroxypropanoic acid, Dan shen suan A, UNII-4GF33A5PAJ, (2R)-3-(3,4-dihydroxyphenyl)-2-hydroxypropanoic acid, 4GF33A5PAJ, (2R)-3-(3,4-dihydroxyphenyl)lactic acid, W-203757, Salianic acid A, AK119798, DS-182, SCHEMBL18469325, CHEBI:71572, Benzenepropanoic acid, alpha,3,4-trihydroxy-, (alphaR)-, DTXSID60469215, ZINC895535, BCP28285, HY-N1913, KS-00000R2J, FCH869720, MFCD09038703, s4741, AKOS006328573, AC-7985, ACN-035342, AN-8468, CS-5614, AJ-24202, BC251342, SC-96866, FT-0696736, r-(+)-beta-(3,4-dihydroxyphenyl)-lactic acid, Benzenepropanoic acid, a,3,4-trihydroxy-, (aR)-, I14-53224, (2R)-3-(3,4-dihydroxyphenyl)-2-hydroxy-propanoic acid, UNII-NA8H56YM3K component PAFLSMZLRSPALU-MRVPVSSYSA-N, Sodium Danshensu, Danshensu Salvianic acid A, Salvianic acid A sodium salt, 3,4-Dihydroxyphenyllactic acid, CID11600642, (R)-a,3,4-Trihydroxybenzenepropanoic acid, 1070A, 3-(3',4'-Dihydroxyphenyl)-(2R)-lactic acid, 2-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)isoindoline-1,3-dione, 22681-72-7,

Complexity	205
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	198.053g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	198.174g/mol
Monoisotopic Mass	198.053g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	98A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number