AG008Q9P

73728-40-2 | 2-(Morpholine-4-carbonyl)benzoic acid

AG008Q9P

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CAS Number	73728-40-2
Catalog Number	AG008Q9P(AGN-PC-0JKYTK)
Chemical Name	2-(Morpholine-4-carbonyl)benzoic acid
IUPAC Name	2-(morpholine-4-carbonyl)benzoic acid
InChI	InChI=1S/C12H13NO4/c14-11(13-5-7-17-8-6-13)9-3-1-2-4-10(9)12(15)16/h1-4H,5-8H2,(H,15,16)
InChI Key	QXNQMHHGQWNYFY-UHFFFAOYSA-N
MDL Number	MFCD00443953
Molecular Formula	C12H13NO4
Molecular Weight	235.2359
NSC Number	175192
SMILES	O=C(O)C1=CC=CC=C1C(N2CCOCC2)=O
Synonyms	73728-40-2, 2-(Morpholine-4-carbonyl)benzoic acid, 2-(4-morpholinylcarbonyl)benzoic acid, o-(Morpholinocarbonyl)benzoic acid, 2-(Morpholine-4-carbonyl)-benzoic acid, 2-(morpholin-4-ylcarbonyl)benzoic acid, BENZOIC ACID, o-(MORPHOLINOCARBONYL)-, Benzoic acid, 2-(4-morpholinylcarbonyl)-, NSC 175192, BRN 0989076, Benzoic acid,2-(4-morpholinylcarbonyl)-, 2-(Morpholine-4-carbonyl)-benzoicacid, AC1L1CNR, Oprea1_546159, Oprea1_588811, AC1Q73L8, ARONIS006543, WLN: T6N DOTJ AVR BVQ, SCHEMBL20267430, CTK5D8543, KS-00003YTP, ZINC38650, DTXSID10224038, 1449AC, MFCD00443953, NSC175192, SBB003251, STK121320, AKOS000263892, FS-5762, MCULE-4652392194, NSC-175192, AJ-08800, AN-37209, LS-37992, SC-57444, ST054905, DB-074733, TR-023907, A9496, BB 0218644, FT-0660669, FT-0660670, EN300-09389, Z-0857, 728M402, Benzoic acid, 2-(4-morpholinylcarbonyl)- (9CI), SR-01000058439, 2-(morpholine-4-carbonyl)-benzoic acid, AldrichCPR, SR-01000058439-1, I01-16040, Z56346839, 2- -BENZOICACID, C12H13NO4, CID52295, C12-H13-N-O4, 2-(Morpholine-4-carbonyl)benzoicacid, 2-(Morpholine-4-carbonyl)-benzoic acid, 97% - 1G 1g,

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	2
Topological Polar Surface Area	66.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.5

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

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