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Monobutyl Phthalate-d4

CAS No.:
478954-81-3
Catalog Number:
AG00DDH1
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00DDH1
Chemical Name:
Monobutyl Phthalate-d4
CAS Number:
478954-81-3
MDL Number:
MFCD16039519
IUPAC Name:
2-butoxycarbonyl-3,4,5,6-tetradeuteriobenzoic acid
InChI:
InChI=1S/C12H14O4/c1-2-3-8-16-12(15)10-7-5-4-6-9(10)11(13)14/h4-7H,2-3,8H2,1H3,(H,13,14)/i4D,5D,6D,7D
InChI Key:
YZBOVSFWWNVKRJ-UGWFXTGHSA-N
Properties
Complexity:
249  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.114g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
4  
Molecular Weight:
226.264g/mol
Monoisotopic Mass:
226.114g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties