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832731-45-0 | Phosphonic acid, [6-(1H-pyrrol-1-yl)hexyl]-
CAS No: 832731-45-0 Catalog No: AG004XW5 MDL No:
Product Description
Catalog Number:
AG004XW5
Chemical Name:
Phosphonic acid, [6-(1H-pyrrol-1-yl)hexyl]-
CAS Number:
832731-45-0
Molecular Formula:
C10H18NO3P
Molecular Weight:
231.2286
IUPAC Name:
6-pyrrol-1-ylhexylphosphonic acid
InChI:
InChI=1S/C10H18NO3P/c12-15(13,14)10-6-2-1-3-7-11-8-4-5-9-11/h4-5,8-9H,1-3,6-7,10H2,(H2,12,13,14)
InChI Key:
HSBAPHHMTKNWLT-UHFFFAOYSA-N
SMILES:
OP(=O)(CCCCCCn1cccc1)O
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.102g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
231.232g/mol
Monoisotopic Mass:
231.102g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
62.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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