AG007OVR

223127-05-7 | 6-Isopropoxynicotinic acid

AG007OVR

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CAS Number	223127-05-7
Catalog Number	AG007OVR(AGN-PC-01Z0ZN)
Chemical Name	6-Isopropoxynicotinic acid
IUPAC Name	6-propan-2-yloxypyridine-3-carboxylic acid
InChI	InChI=1S/C9H11NO3/c1-6(2)13-8-4-3-7(5-10-8)9(11)12/h3-6H,1-2H3,(H,11,12)
InChI Key	OOIMOWCIYNEWCF-UHFFFAOYSA-N
MDL Number	MFCD09811743
Molecular Formula	C9H11NO3
Molecular Weight	181.1885
SMILES	O=C(O)C1=CN=C(OC(C)C)C=C1
Synonyms	6-isopropoxynicotinic acid, 223127-05-7, 6-(propan-2-yloxy)pyridine-3-carboxylic acid, 6-propan-2-yloxypyridine-3-carboxylic acid, 3-Pyridinecarboxylicacid, 6-(1-methylethoxy)-, AC1Q1QQT, 6-Isopropoxynicotnic acid, SCHEMBL841924, CTK1A1275, DTXSID00595249, OOIMOWCIYNEWCF-UHFFFAOYSA-N, ANW-57615, BBL031506, MFCD09811743, STL373084, ZINC19389480, AKOS000158370, MCULE-6879781668, KS-00000P57, AJ-73053, AK-61700, BS-13814, RT-010671, CS-0043076, FT-0083026, FT-0651275, ST24045421, Z0401, 6-ISOPROPOXYPYRIDINE-3-CARBOXYLIC ACID, EN300-30904, Q-7289, 3-Pyridinecarboxylic acid, 6-(1-methylethoxy)-, 6-[(Propan-2-yl)oxy]pyridine-3-carboxylic acid, I02-1985, J-014637, F2147-1694, 6-Isopropoxynicotinicacid, 6-isopropoxynicotinonitrile, C9H11NO3, ACN-052897,

Complexity	182
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	181.074g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	181.191g/mol
Monoisotopic Mass	181.074g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	59.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

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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