Phosphonosuccinic acid - CAS 5768-48-9
Catalog:
BB043775
Product Name:
Phosphonosuccinic acid
CAS:
5768-48-9
Synonyms:
Butanedioic acid, 2-phosphono-
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BB043775
1 g
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IUPAC Name: 2-phosphonobutanedioic acid
Description: Phosphonosuccinic acid is a useful research chemical.
Molecular Weight: 198.07
Molecular Formula: C4H7O7P
Canonical SMILES: C(C(C(=O)O)P(=O)(O)O)C(=O)O
InChI: InChI=1S/C4H7O7P/c5-3(6)1-2(4(7)8)12(9,10)11/h2H,1H2,(H,5,6)(H,7,8)(H2,9,10,11)
InChI Key: KMDMOMDSEVTJTI-UHFFFAOYSA-N
GHS Hazard Statement: H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement: P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501
Signal Word: Danger
Complexity: 240
Compound Is Canonicalized: Yes
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Exact Mass: 197.99293956
Formal Charge: 0
Heavy Atom Count: 12
Hydrogen Bond Acceptor Count: 7
Hydrogen Bond Donor Count: 4
Isotope Atom Count: 0
Monoisotopic Mass: 197.99293956
Rotatable Bond Count: 4
Topological Polar Surface Area: 132
Undefined Atom Stereocenter Count: 1
Undefined Bond Stereocenter Count: 0
XLogP3: -2.5
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