AG004M7C

868543-19-5 | 2-Morpholin-4-ylmethylbenzoic acid

AG004M7C

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CAS Number	868543-19-5
Catalog Number	AG004M7C(AGN-PC-0LU5E6)
Chemical Name	2-Morpholin-4-ylmethylbenzoic acid
IUPAC Name	2-(morpholin-4-ylmethyl)benzoic acid
InChI	InChI=1S/C12H15NO3/c14-12(15)11-4-2-1-3-10(11)9-13-5-7-16-8-6-13/h1-4H,5-9H2,(H,14,15)
InChI Key	SSEVULBAGRUOPS-UHFFFAOYSA-N
MDL Number	MFCD06797774
Molecular Formula	C12H15NO3
Molecular Weight	221.2524
SMILES	O1CCN(CC1)CC2=C(C(=O)O)C=CC=C2
Synonyms	2-Morpholin-4-ylmethylbenzoic acid, 868543-19-5, 2-(morpholin-4-ylmethyl)benzoic acid, 2-(morpholinomethyl)benzoic acid, 2-Morpholin-4-ylmethyl-benzoic acid, 2-(4-morpholinylmethyl)benzoic acid, Benzoic acid,2-(4-morpholinylmethyl)-, PubChem19937, akos bb-9395, BAS 10157023, AC1O5HHI, timtec-bb sbb011464, SCHEMBL230275, CTK5F7275, KS-00003TLN, DTXSID60424445, HMS1702C04, ZINC4253574, ANW-51637, MFCD06797774, SBB011464, AKOS000303399, MCULE-2517288272, RP27325, RTR-027039, 2-[(morpholin-4-yl)methyl]benzoic acid, Benzoic acid, 2-(4-morpholinylmethyl)-, AJ-75911, AK-18006, AN-26950, BR-18006, EN001977, SC-54516, TS-03165, AB0027118, DB-001557, TR-027039, 4CH-008284, AM20050328, FT-0656749, ST24028112, ST50321216, W8913, 2-(4-MORPHOLINYLMETHYL)-BENZOIC ACID, 2-morpholin-4-ylmethylbenzoic acid, AldrichCPR, S-4061, 543M195, A841853, I14-3704, C12H15NO3, CID6484271, 2-MORPHOLIN-4-YLMETHYLBENZOICACID,

Complexity	238
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	221.105g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	221.256g/mol
Monoisotopic Mass	221.105g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	49.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-1.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

Lot Number