Home Other Building Blocks 3-CHLORO-1,2-PROPANE-D5-DIOL

3-CHLORO-1,2-PROPANE-D5-DIOL

CAS No.:
342611-01-2
Catalog Number:
AG00C5GR
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00C5GR
Chemical Name:
3-CHLORO-1,2-PROPANE-D5-DIOL
CAS Number:
342611-01-2
MDL Number:
MFCD01317355
IUPAC Name:
3-chloro-1,1,2,3,3-pentadeuteriopropane-1,2-diol
InChI:
InChI=1S/C3H7ClO2/c4-1-3(6)2-5/h3,5-6H,1-2H2/i1D2,2D2,3D
InChI Key:
SSZWWUDQMAHNAQ-UXXIZXEISA-N
Properties
Complexity:
32  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
115.045g/mol
Formal Charge:
0
Heavy Atom Count:
6  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
5  
Molecular Weight:
115.568g/mol
Monoisotopic Mass:
115.045g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5  
Literature
Title Journal
Development of an analytical method for 3-monochloropropane-1,2-diol in soy sauce using 4-heptanone as derivatizing agent. Food additives and contaminants 20040301
Properties