AG006PDY

99-14-9 | 1,2,3-PropanetricarboxylicAcid

AG006PDY

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CAS Number	99-14-9
Catalog Number	AG006PDY(AGN-PC-0JKC0F)
Chemical Name	1,2,3-PropanetricarboxylicAcid
EC Number	202-733-3
IUPAC Name	propane-1,2,3-tricarboxylic acid
InChI	InChI=1S/C6H8O6/c7-4(8)1-3(6(11)12)2-5(9)10/h3H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
InChI Key	KQTIIICEAUMSDG-UHFFFAOYSA-N
MDL Number	MFCD00002723
Molecular Formula	C6H8O6
Molecular Weight	176.1241
NSC Number	2347
SMILES	O=C(O)CC(CC(O)=O)C(O)=O
UNII	RA5QH2J020
Synonyms	propane-1,2,3-tricarboxylate, tricarballylic acid, tricarballylic acid, sodium salt, tricarballylic acid, trisodium salt, Tricarballylic acid, 99-14-9, 1,2,3-Propanetricarboxylic acid, Propane-1,2,3-tricarboxylic acid, Carballylic acid, Tricarballylate, beta-Carboxyglutaric acid, 3-carboxyglutaric acid, 1,2,3-Propanetricarboxylicacid, NSC2347, Propane 1,2,3-tricarboxylic acid, UNII-RA5QH2J020, CHEBI:45969, Tricarballylic acid, 99%, .beta.-Carboxyglutaric acid, RA5QH2J020, KQTIIICEAUMSDG-UHFFFAOYSA-N, 1,2,3-Tripropanetricarboxylic acid, NSC-2347, MFCD00002723, TRC, NSC 2347, EINECS 202-733-3, ACMC-209sbq, AI3-52246, carboxymethylsuccinic acid, 3-carboxypentanedioic acid, AC1Q74SM, NCIStruc1_000003, NCIStruc2_000057, SCHEMBL34866, 1,3-Propanetricarboxylic acid, AC1L24T3, Propane 1,3-tricarboxylic acid, Propane-1,3-tricarboxylic acid, CHEMBL1236394, DTXSID8059186, CTK3I7163, NCI2347, 3-Carboxypentane-1,5-dioic acid, 1,2,3-propane tricarboxylic acid, ZINC334493, ACT09248, 7693AF, ANW-40980, BDBM50119563, CCG-37950, NCGC00013020, SBB069489, AKOS000277372, DB04562, MCULE-6198986604, NE10220, NCGC00013020-02, NCGC00096147-01, AK676885, AS-10539, NCI60_001896, ST092729, SY049169, TL8006061, TR-030398, FT-0606218, P0490, KS-00001636, MFCD00002723 (98%), C19806, AI-942/42301799, S14-0915, BRD-K22081896-001-01-4, Z2327039888, InChI=1/C6H8O6/c7-4(8)1-3(6(11)12)2-5(9)10/h3H,1-2H2,(H,7,8)(H,9,10)(H,11,12, D08ZAO, propane-1,2,3-tricarboxylate, C6H8O6, C6-H8-O6, CID14925,

Complexity	192
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	176.032g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	176.124g/mol
Monoisotopic Mass	176.032g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	112A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

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