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197630-75-4 | Pentanedioic acid, 2-[(hydroxymethylphosphinyl)methyl]-
CAS No: 197630-75-4 Catalog No: AG002AX1 MDL No:
Product Description
Catalog Number:
AG002AX1
Chemical Name:
Pentanedioic acid, 2-[(hydroxymethylphosphinyl)methyl]-
CAS Number:
197630-75-4
Molecular Formula:
C7H13O6P
Molecular Weight:
224.1483
IUPAC Name:
2,4-dicarboxybutyl-(hydroxymethyl)-oxophosphanium
InChI:
InChI=1S/C7H11O6P/c8-4-14(13)3-5(7(11)12)1-2-6(9)10/h5,8H,1-4H2,(H-,9,10,11,12)/p+1
InChI Key:
MXFKSBCIWSJPDP-UHFFFAOYSA-O
SMILES:
OCP(=O)CC(C(=O)O)CCC(=O)O
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.037g/mol
Formal Charge:
1
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
223.141g/mol
Monoisotopic Mass:
223.037g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.2
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