AG003HR1

42106-48-9 | 2-Morpholinobenzoic acid

AG003HR1

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CAS Number	42106-48-9
Catalog Number	AG003HR1(AGN-PC-0KKXMB)
Chemical Name	2-Morpholinobenzoic acid
IUPAC Name	2-morpholin-4-ylbenzoic acid
InChI	InChI=1S/C11H13NO3/c13-11(14)9-3-1-2-4-10(9)12-5-7-15-8-6-12/h1-4H,5-8H2,(H,13,14)
InChI Key	XUBUJTVBAXQIKG-UHFFFAOYSA-N
MDL Number	MFCD00002656
Molecular Formula	C11H13NO3
Molecular Weight	207.2258
SMILES	O=C(O)C1=CC=CC=C1N2CCOCC2
Synonyms	2-Morpholinobenzoic acid, 42106-48-9, 2-(morpholin-4-yl)benzoic acid, 2-(4-Morpholinyl)benzoic Acid, 2-morpholin-4-ylbenzoic acid, 2-(4-Morpholino)benzoic acid, 2-MORPHOLINOBENZOICACID, SDCCGMLS-0066050.P001, PubChem19559, ACMC-1ALYP, AC1MCR27, Oprea1_107872, SCHEMBL226006, 2-Morpholin-4-yl-benzoic acid, CTK4I5712, KS-00000CBX, DTXSID90380186, XUBUJTVBAXQIKG-UHFFFAOYSA-N, 2-(morpholin-4-yl)-benzoic acid, Benzoic acid,2-(4-morpholinyl)-, ZINC159005, AC1Q7256, 2-morpholinobenzoic acid, AldrichCPR, ANW-29745, MFCD00527976, SBB093850, AKOS000260177, AC-2822, CM-2264, MCULE-9914649019, PS-4304, RP04609, TRA0012958, AJ-15439, AK-45789, AM803884, AN-13560, SC-23079, SY003053, AB0041332, DB-025917, TX-018174, FT-0613104, ST24040928, Y9066, EN300-60103, K-8780, MFCD00527976 (97+%), J-510129, I14-17408, Z969559972, C11H13NO3, ACN-050256, CID2776561, 2-Morpholinobenzoic acid, 97% - 1G 1g, 2-chloro-N-[4-(difluoromethoxy)phenyl]propanamide,

Complexity	226
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	207.09g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	207.229g/mol
Monoisotopic Mass	207.09g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	49.8A^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
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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