AG008RP0

106910-79-6 | 3-Morpholinecarboxylic acid, 5-oxo-4-(phenylmethyl)-, (±)-

AG008RP0

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CAS Number	106910-79-6
Catalog Number	AG008RP0(AGN-PC-0OWKE2)
Chemical Name	3-Morpholinecarboxylic acid, 5-oxo-4-(phenylmethyl)-, (±)-
IUPAC Name	4-benzyl-5-oxomorpholine-3-carboxylic acid
InChI	InChI=1S/C12H13NO4/c14-11-8-17-7-10(12(15)16)13(11)6-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,15,16)
InChI Key	LAHROJZLGLNLBT-UHFFFAOYSA-N
MDL Number	MFCD11042914
Molecular Formula	C12H13NO4
Molecular Weight	235.2359
SMILES	O=C(C(COC1)N(CC2=CC=CC=C2)C1=O)O
Synonyms	4-Benzyl-5-oxomorpholine-3-carboxylic acid, 106910-79-6, 4-benzyl-5-oxomorpholine-3-carboxylicacid, 3-Morpholinecarboxylicacid, 5-oxo-4-(phenylmethyl)-, AK-55335, ACMC-20dkpf, ACMC-20dllr, 3-Morpholinecarboxylicacid, 5-oxo-4-(phenylmethyl)-, (3S)-, SCHEMBL1005866, CTK0H3304, KS-00000AFP, LAHROJZLGLNLBT-UHFFFAOYSA-N, CS-M0880, 3278AH, MFCD11042914, AKOS005264477, FCH3432084, SB12698, TRA0010712, TRA0036059, TRA0046727, AK-46978, AK-55423, CS-11085, SY005112, SY005130, SY005136, AB0065686, AX8173999, DB-012097, TC-307638, 4-benzyl-5-oxo-morpholine-3-carboxylic acid, FT-0662847, MFCD09835535 (97+%), MFCD11042914 (97+%), MFCD12031258 (97+%), (RS)-4-benzyl-5-oxo-morpholine-3-carboxylic acid, 910B796, 5-Oxo-4-(phenylmethyl)-3-morpholinecarboxylic acid, S04-0005, 3-Morpholinecarboxylic acid, 5-oxo-4-(phenylmethyl)-, 4-benzyl-5-oxomorpholine-3-carboxylic acid, AldrichCPR, 3-Morpholinecarboxylic acid, 5-oxo-4-(phenylmethyl)-, (A+/-)-, (S)-4-Benzyl-5-oxomorpholine-3-carboxylic Acid, C12H13NO4, (R)-4-benzyl-5-oxomorpholine-3-carboxylic acid, CS-T-05836, (R)-4-Benzyl-5-oxo-3-morpholinecarboxylic Acid, 106973-37-9, (S)-(+)-4-Benzylmorpholin-5-one-3-carboxylic Acid, 106973-36-8, 312748-94-0,

Complexity	299
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	235.084g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	235.239g/mol
Monoisotopic Mass	235.084g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	66.8A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	0.5

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

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