AG003CL4

3972-36-9 | (S)-2-Benzylsuccinic acid

AG003CL4

SDS

COA

Price

$0.00

Add to Cart

Buy Now

WARNING This product is not for human or veterinary use.

CAS Number	3972-36-9
Catalog Number	AG003CL4(AGN-PC-0O9VTW)
Chemical Name	(S)-2-Benzylsuccinic acid
EC Number	609-742-5
IUPAC Name	(2S)-2-benzylbutanedioic acid
InChI	InChI=1S/C11H12O4/c12-10(13)7-9(11(14)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)(H,14,15)/t9-/m0/s1
InChI Key	GTOFKXZQQDSVFH-VIFPVBQESA-N
MDL Number	MFCD00798341
Molecular Formula	C11H12O4
Molecular Weight	208.2106
SMILES	O=C(O)[C@@H](CC1=CC=CC=C1)CC(O)=O
Synonyms	(S)-2-benzylsuccinic acid, 3972-36-9, (2S)-2-benzylbutanedioic acid, (S)-Benzylsuccinic Acid, (S)-2-Benzylsuccinicacid, (R)-2-benzylsuccinate, Butanedioic acid, (phenylmethyl)-, (2S)-, Q-101032, MFCD00798341, 2-Benzyl-succinic acid, S-Benzyl succinic acid, (2R)-2-benzylsuccinic acid, NSC-20708, L-Benzylsuccinate, AK-35018, BZS, PubChem9990, AC1L9J8L, NCIStruc1_000537, NCIStruc2_000457, (2S)-2-Benzylsuccinic acid, KSC222G1L, SCHEMBL5688996, Jsp006891, CHEMBL1741738, DTXSID2050405, CTK1C2315, KS-00000CBZ, ZINC291740, ACN-S004085, BCP04296, NCI20708, ANW-52356, CB-447, CCG-38011, NCGC00013270, SBB063109, AKOS015839025, AKOS015888147, AC-2816, CS-W002684, DS-1848, RP26411, RTR-015858, NCGC00013270-02, NCGC00096389-01, AJ-18936, AN-13625, BC218843, CC-01346, OR350350, SC-04186, AB0006381, AB1001509, AX8033538, DB-001140, ST2408311, TR-015858, A6634, B4142, Butanedioicacid, 2-(phenylmethyl)-, (2S)-, FT-0652906, M-2123, 972B369, C-35194, null, Mitiglinide, l-benzylsuccinic acid, Benzylsuccinic acid, S-Benzylsuccinic acid, -2-Benzylsuccinicacid, 2-Benzylsuccinic acid, (R)-2-benzylsuccinic acid, C11H12O4, CID446168, ACN-034418, CB10031, CB10569, (S)-Benzylsuccinic acid, 98%, ee: 98% - 25G 25g, 884-33-3,

Complexity	231
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	208.074g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	208.213g/mol
Monoisotopic Mass	208.074g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	74.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

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

Lot Number