200,000+ products from a single source!
sales@angenechem.com
141327-44-8 | Butanoic-3,3,4,4,4-d5 acid, 2-acetyl-, ethyl ester
CAS No: 141327-44-8 Catalog No: AG001G7G MDL No:
Product Description
Catalog Number:
AG001G7G
Chemical Name:
Butanoic-3,3,4,4,4-d5 acid, 2-acetyl-, ethyl ester
CAS Number:
141327-44-8
Molecular Formula:
C8H9D5O3
Molecular Weight:
163.2258
IUPAC Name:
ethyl 2-acetyl-3,3,4,4,4-pentadeuteriobutanoate
InChI:
InChI=1S/C8H14O3/c1-4-7(6(3)9)8(10)11-5-2/h7H,4-5H2,1-3H3/i1D3,4D2
InChI Key:
OKANYBNORCUPKZ-SGEUAGPISA-N
SMILES:
CCOC(=O)C(C(C([2H])([2H])[2H])([2H])[2H])C(=O)C
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.126g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
5
Molecular Weight:
163.228g/mol
Monoisotopic Mass:
163.126g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.