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100508-36-9 | Phosphonic acid, [2-(1H-tetrazol-5-yl)ethyl]- (9CI)
CAS No: 100508-36-9 Catalog No: AG00026Y MDL No:
Product Description
Catalog Number:
AG00026Y
Chemical Name:
Phosphonic acid, [2-(1H-tetrazol-5-yl)ethyl]- (9CI)
CAS Number:
100508-36-9
Molecular Formula:
C3H7N4O3P
Molecular Weight:
178.0864
IUPAC Name:
2-(2H-tetrazol-5-yl)ethylphosphonic acid
InChI:
InChI=1S/C3H7N4O3P/c8-11(9,10)2-1-3-4-6-7-5-3/h1-2H2,(H2,8,9,10)(H,4,5,6,7)
InChI Key:
XPLKKCREAUJHKB-UHFFFAOYSA-N
SMILES:
OP(=O)(CCc1nnn[nH]1)O
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.026g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
178.088g/mol
Monoisotopic Mass:
178.026g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.1
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