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14770-51-5

14770-51-5 | Propanoic-2,2-d2 acid-d (9CI)

CAS No: 14770-51-5 Catalog No: AG001F3X MDL No:

Product Description

Catalog Number:
AG001F3X
Chemical Name:
Propanoic-2,2-d2 acid-d (9CI)
CAS Number:
14770-51-5
Molecular Formula:
C3H3D3O2
Molecular Weight:
77.0970
IUPAC Name:
deuterio 2,2-dideuteriopropanoate
InChI:
InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)/i2D2/hD
InChI Key:
XBDQKXXYIPTUBI-VLZJNYFYSA-N
SMILES:
O([2H])C(=O)C(C)([2H])[2H]

Properties

Complexity:
40.2  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
77.056g/mol
Formal Charge:
0
Heavy Atom Count:
5  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
3  
Molecular Weight:
77.097g/mol
Monoisotopic Mass:
77.056g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  

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