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141380-91-8 | Phosphinic acid, [3-(benzoylamino)propyl]- (9CI)
CAS No: 141380-91-8 Catalog No: AG001GBV MDL No:
Product Description
Catalog Number:
AG001GBV
Chemical Name:
Phosphinic acid, [3-(benzoylamino)propyl]- (9CI)
CAS Number:
141380-91-8
Molecular Formula:
C10H14NO3P
Molecular Weight:
227.1968
IUPAC Name:
3-benzamidopropyl-hydroxy-oxophosphanium
InChI:
InChI=1S/C10H11NO3P/c12-10(9-5-2-1-3-6-9)11-7-4-8-15(13)14/h1-3,5-6H,4,7-8H2/q-1/p+2
InChI Key:
TUMPNYSOMUCSIE-UHFFFAOYSA-P
SMILES:
O=C(c1ccccc1)NCCCP(=O)O
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.063g/mol
Formal Charge:
1
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
226.192g/mol
Monoisotopic Mass:
226.063g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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