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87549-50-6 | Phosphonic acid, (3-cyano-2-methyl-2-propenyl)-, diethyl ester
CAS No: 87549-50-6 Catalog No: AG004EZD MDL No:
Product Description
Catalog Number:
AG004EZD
Chemical Name:
Phosphonic acid, (3-cyano-2-methyl-2-propenyl)-, diethyl ester
CAS Number:
87549-50-6
Molecular Formula:
C9H16NO3P
Molecular Weight:
217.2020
IUPAC Name:
4-diethoxyphosphoryl-3-methylbut-2-enenitrile
InChI:
InChI=1S/C9H16NO3P/c1-4-12-14(11,13-5-2)8-9(3)6-7-10/h6H,4-5,8H2,1-3H3
InChI Key:
OPUURRZDCJCVGT-UHFFFAOYSA-N
SMILES:
CCOP(=O)(CC(=CC#N)C)OCC
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.087g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.205g/mol
Monoisotopic Mass:
217.087g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.8
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