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128412-18-0 | Phosphonic acid, P-[(2E)-1-hydroxy-2-buten-1-yl]-, dimethyl ester
CAS No: 128412-18-0 Catalog No: AG000Y1R MDL No:
Product Description
Catalog Number:
AG000Y1R
Chemical Name:
Phosphonic acid, P-[(2E)-1-hydroxy-2-buten-1-yl]-, dimethyl ester
CAS Number:
128412-18-0
Molecular Formula:
C6H13O4P
Molecular Weight:
180.1388
IUPAC Name:
1-dimethoxyphosphorylbut-2-en-1-ol
InChI:
InChI=1S/C6H13O4P/c1-4-5-6(7)11(8,9-2)10-3/h4-7H,1-3H3
InChI Key:
ZTFCKDGCKRVFED-UHFFFAOYSA-N
SMILES:
C/C=C/C(P(=O)(OC)OC)O
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.055g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.14g/mol
Monoisotopic Mass:
180.055g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
-0.2
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