AG003JW1

5962-42-5 | 3-Phosphonopropanoic acid

AG003JW1

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CAS Number	5962-42-5
Catalog Number	AG003JW1(AGN-PC-0JK5YF)
Chemical Name	3-Phosphonopropanoic acid
EC Number	227-738-8
IUPAC Name	3-phosphonopropanoic acid
InChI	InChI=1S/C3H7O5P/c4-3(5)1-2-9(6,7)8/h1-2H2,(H,4,5)(H2,6,7,8)
InChI Key	NLBSQHGCGGFVJW-UHFFFAOYSA-N
MDL Number	MFCD00002770
Molecular Formula	C3H7O5P
Molecular Weight	154.0584
SMILES	O=C(O)CCP(O)(O)=O
Synonyms	3-phosphopropionate, beta-phosphonopropionic acid, carboxyethylphosphonic acid, CEPA cpd, 3-Phosphonopropionic acid, 3-phosphonopropanoic acid, 5962-42-5, 2-CARBOXYETHYLPHOSPHONIC ACID, Propanoic acid, 3-phosphono-, beta-Phosphonopropionic acid, EINECS 227-738-8, CHEMBL1088324, MFCD00002770, 3-Phosphono-Propanoicaci, 1iig, ACMC-20amyo, 3-Phosphopropionic acid, AC1Q5WFZ, 3-phosphonoproprionic acid, SCHEMBL23648, AC1L1C00, (2-Carboxyethyl)phosphonic Acid, DTXSID3064069, CTK3I9735, (2-Carboxyethyl)-phosphonic acid, NLBSQHGCGGFVJW-UHFFFAOYSA-N, ZINC2008858, ZX-AT022713, BDBM50311531, STK041913, AKOS003600208, AN-6829, DB03379, FCH1115246, MCULE-5647723204, OR10794, RTR-031938, TRA0008861, KS-000010U4, AJ-75381, AK132965, AS-10393, CC-15908, DB-009527, LS-121594, TR-031938, FT-0616356, P2348, 3-Phosphonopropionic acid, technical grade, 94%, C-33608, I14-19284, Pyrophosphate analog, 3-PHOSPHONOPROPIONICACID, CID1682, C3-H7-O5-P, AR-1F5092, 3PP, 108575-32-2, 61296-13-7,

Complexity	146
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	154.003g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	154.058g/mol
Monoisotopic Mass	154.003g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	94.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H314
Packing Group	Ⅱ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 3261

Certificate of Analysis

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