AG003R5I

486-73-7 | Isoquinoline-1-carboxylic acid

AG003R5I

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CAS Number	486-73-7
Catalog Number	AG003R5I(AGN-PC-0JL88X)
Chemical Name	Isoquinoline-1-carboxylic acid
EC Number	207-639-6
IUPAC Name	isoquinoline-1-carboxylic acid
InChI	InChI=1S/C10H7NO2/c12-10(13)9-8-4-2-1-3-7(8)5-6-11-9/h1-6H,(H,12,13)
InChI Key	XAAKCCMYRKZRAK-UHFFFAOYSA-N
MDL Number	MFCD00006901
Molecular Formula	C10H7NO2
Molecular Weight	173.1681
NSC Number	218351
SMILES	C1=CC=CC2=CC=NC(=C12)C(O)=O
Synonyms	Isoquinoline-1-carboxylic acid, 486-73-7, 1-Isoquinolinecarboxylic acid, isoquinolinecarboxylic acid, Isoquinoline-1-carboxylicacid, 1-Carboxyisoquinoline, Isoquinioline-1-carboxylic acid, MFCD00006901, XAAKCCMYRKZRAK-UHFFFAOYSA-N, EINECS 207-639-6, PubChem7537, ACMC-209kds, AI3-61946, AC1Q5UW6, AC1Q72NW, isoquinoline-1carboxylic acid, KSC170S7D, SCHEMBL287165, 1-isoquinoline carboxylic acid, 1-isoquinoline-carboxylic acid, AC1L290J, CHEMBL1650606, XAAKCCMYRKZRAK-UHFFFAOYSA-, DTXSID60197566, ZINC388303, ALBB-005987, KS-00000DK6, STR06344, ANW-30686, BBL001470, CI-026, NSC218351, SBB028486, STK503654, Isoquinoline-1-carboxylic acid, 99%, AKOS005171622, CS-W002015, EBD2219972, FS-1571, MCULE-5996203010, NSC-218351, RP02796, RTC-061343, VQ10051, AC-10287, AJ-20541, AK-26020, AN-45240, BR-26020, SY018979, AB0011883, DB-019232, ST2413172, AM20070108, BB 0253757, FT-0607986, I0671, ST50308467, EN300-55949, MFCD00006901 (98%), 86I737, B-2240, AP-065/40744548, W-106045, F2191-0251, Z1259040996, Isoquinoline-1-carboxylic acid, technical, >=97.0% (T), InChI=1/C10H7NO2/c12-10(13)9-8-4-2-1-3-7(8)5-6-11-9/h1-6H,(H,12,13), C10H7NO2, C10-H7-N-O2, CID68092, AR-1C4158, SC-45864, A7348, C2376, Isoquinoline-1-carboxylic acid, 99% - 1G 1g, 6269-41-6,

Complexity	205
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	173.048g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	173.171g/mol
Monoisotopic Mass	173.048g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	50.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number