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1-amino-1-phosphonopropylphosphonic acid

1-amino-1-phosphonopropylphosphonic acid

CAS: 15049-86-2

Formula: C3H11NO6P2

SMILES: CCC(N)(P(O)(O)=O)P(O)(O)=O

IUPAC: (1-amino-1-phosphonopropyl)phosphonic acid

InChI: InChI=1S/C3H11NO6P2/c1-2-3(4,11(5,6)7)12(8,9)10/h2,4H2,1H3,(H2,5,6,7)(H2,8,9,10)

Composition: C (16.45%), H (5.06%), N (6.39%), O (43.82%), P (28.28%)

Molar Mass: 219.07

Atom Count: 23

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 219.006161074
Formal Charge 0
FSP3 1
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 7
Hydrogen Bond Donor Count 5
InChIKey PCTMREJZUSEOQD-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 40.84
Topological Polar Surface Area 141.08
Polarizability 16.68
Ring Count 0
Rotatable Bond Count 3

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