AG003JS8

215309-00-5 | 3-Morpholinobenzoic acid

AG003JS8

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CAS Number	215309-00-5
Catalog Number	AG003JS8(AGN-PC-0KL7M1)
Chemical Name	3-Morpholinobenzoic acid
IUPAC Name	3-morpholin-4-ylbenzoic acid
InChI	InChI=1S/C11H13NO3/c13-11(14)9-2-1-3-10(8-9)12-4-6-15-7-5-12/h1-3,8H,4-7H2,(H,13,14)
InChI Key	VSKFQESEPGOWBS-UHFFFAOYSA-N
MDL Number	MFCD06659078
Molecular Formula	C11H13NO3
Molecular Weight	207.2258
SMILES	O=C(O)C1=CC=CC(N2CCOCC2)=C1
Synonyms	3-Morpholinobenzoic Acid, 215309-00-5, 3-morpholin-4-ylbenzoic Acid, 3-(4-morpholinyl)benzoic acid, 3-Morpholin-4-yl-benzoic acid, 3-Morpholinobenzoicacid, 3-(Morpholin-4-Yl)Benzoic Acid, Benzoic acid, 3-(4-morpholinyl)-, CHEMBL3985161, AC1MDTML, PubChem19534, AC1Q72TM, SCHEMBL65857, 3-(4-morpholino)benzoic acid, 4-(3-Carboxyphenyl)morpholine, 3-morpholin-4-yl benzoic acid, Jsp004376, CTK4E7056, DTXSID00383769, VSKFQESEPGOWBS-UHFFFAOYSA-N, Benzoic acid,3-(4-morpholinyl)-, KS-00000CC4, ZINC4272159, 3-morpholinobenzoic acid, AldrichCPR, ANW-73665, BDBM50206614, MFCD06659078, SBB018082, AKOS000101201, AB25923, AC-2741, CM-2266, CS-W003317, DS-2675, FS-2308, MCULE-1174416895, MP-0540, RP04608, RTR-010110, TRA0084732, AJ-50024, AK-34105, AN-13692, BC680797, SC-27149, SY002776, AB0040626, DB-018488, ST2417817, TR-010110, 4CH-012881, BB 0218061, FT-0649919, ST50532660, Y8258, M67197, MFCD06659078 (97+%), A815453, W-206639, I14-17456, C11H13NO3, 1-Amino-3,3-dimethyl-2-butanone, CID2795549,

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	0.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number