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BUTANEDIOIC ACID-1,4-13C2

CAS No.:
79864-95-2
Catalog Number:
AG00G4F5
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00G4F5
Chemical Name:
BUTANEDIOIC ACID-1,4-13C2
CAS Number:
79864-95-2
MDL Number:
MFCD00083910
IUPAC Name:
(1,4-13C2)butanedioic acid
InChI:
InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)/i3+1,4+1
InChI Key:
KDYFGRWQOYBRFD-CQDYUVAPSA-N
Properties
Complexity:
92.6  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
120.033g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
2  
Molecular Weight:
120.073g/mol
Monoisotopic Mass:
120.033g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6  
Properties