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123342-38-1 | Phosphonic acid, [(octylamino)methyl]- (9CI)
CAS No: 123342-38-1 Catalog No: AG000KFA MDL No:
Product Description
Catalog Number:
AG000KFA
Chemical Name:
Phosphonic acid, [(octylamino)methyl]- (9CI)
CAS Number:
123342-38-1
Molecular Formula:
C9H22NO3P
Molecular Weight:
223.2496
IUPAC Name:
(octylamino)methylphosphonic acid
InChI:
InChI=1S/C9H22NO3P/c1-2-3-4-5-6-7-8-10-9-14(11,12)13/h10H,2-9H2,1H3,(H2,11,12,13)
InChI Key:
PJENTJCCUOQHFJ-UHFFFAOYSA-N
SMILES:
CCCCCCCCNCP(=O)(O)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:
223.134g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
223.253g/mol
Monoisotopic Mass:
223.134g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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