Home Other Building Blocks (S)-dimethyl 2-hydroxypentanedioate

(S)-dimethyl 2-hydroxypentanedioate

CAS No.:
55094-97-8
Catalog Number:
AG01DIT3
Molecular Formula:
C7H12O5
Molecular Weight:
176.1672
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Product Description
Catalog Number:
AG01DIT3
Chemical Name:
(S)-dimethyl 2-hydroxypentanedioate
CAS Number:
55094-97-8
Molecular Formula:
C7H12O5
Molecular Weight:
176.1672
MDL Number:
MFCD27925326
IUPAC Name:
dimethyl (2S)-2-hydroxypentanedioate
InChI:
InChI=1S/C7H12O5/c1-11-6(9)4-3-5(8)7(10)12-2/h5,8H,3-4H2,1-2H3/t5-/m0/s1
InChI Key:
SHBLBMNYOOCEFM-YFKPBYRVSA-N
SMILES:
COC(=O)CC[C@@H](C(=O)OC)O
Properties
Complexity:
165  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
176.068g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
176.168g/mol
Monoisotopic Mass:
176.068g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3  
Properties