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125402-59-7 | Phosphinic acid, [1-amino-2-(4-hydroxyphenyl)ethyl]- (9CI)
CAS No: 125402-59-7 Catalog No: AG000NN3 MDL No:
Product Description
Catalog Number:
AG000NN3
Chemical Name:
Phosphinic acid, [1-amino-2-(4-hydroxyphenyl)ethyl]- (9CI)
CAS Number:
125402-59-7
Molecular Formula:
C8H12NO3P
Molecular Weight:
201.1595
IUPAC Name:
[1-amino-2-(4-hydroxyphenyl)ethyl]-hydroxy-oxophosphanium
InChI:
InChI=1S/C8H10NO3P/c9-8(13(11)12)5-6-1-3-7(10)4-2-6/h1-4,8H,5,9H2,(H-,10,11,12)/p+1
InChI Key:
BSVMBTCYPVBHON-UHFFFAOYSA-O
SMILES:
OP(=O)C(Cc1ccc(cc1)O)N
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.048g/mol
Formal Charge:
1
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
200.154g/mol
Monoisotopic Mass:
200.048g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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