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2-phosphonobutanoic acid

2-phosphonobutanoic acid

CAS: 4378-40-9

Formula: C4H9O5P

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

IUPAC: 2-phosphonobutanoic acid

InChI: InChI=1/C4H9O5P/c1-2-3(4(5)6)10(7,8)9/h3H,2H2,1H3,(H,5,6)(H2,7,8,9)

Composition: C (28.58%), H (5.40%), O (47.59%), P (18.43%)

Molar Mass: 168.085

Atom Count: 19

Heavy Atom Count: 10

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 168.018760388
Formal Charge 0
FSP3 0.75
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 3
InChIKey PWSXRGRLZKVHLW-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 32.65
Topological Polar Surface Area 94.83
Polarizability 13.16
Ring Count 0
Rotatable Bond Count 3

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