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20580-37-4 | Phosphonic acid, (2-cyanoethyl)-, dibutyl ester (6CI,7CI,8CI,9CI)
CAS No: 20580-37-4 Catalog No: AG002ADD MDL No:
Product Description
Catalog Number:
AG002ADD
Chemical Name:
Phosphonic acid, (2-cyanoethyl)-, dibutyl ester (6CI,7CI,8CI,9CI)
CAS Number:
20580-37-4
Molecular Formula:
C11H22NO3P
Molecular Weight:
247.2710
IUPAC Name:
3-dibutoxyphosphorylpropanenitrile
InChI:
InChI=1S/C11H22NO3P/c1-3-5-9-14-16(13,11-7-8-12)15-10-6-4-2/h3-7,9-11H2,1-2H3
InChI Key:
HMXGWEUXTBKBFB-UHFFFAOYSA-N
SMILES:
CCCCOP(=O)(CCC#N)OCCCC
NSC Number:
13544
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.134g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.275g/mol
Monoisotopic Mass:
247.134g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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