200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 29117-54-2
29117-54-2 | 1,2-Pentanediol, (2S)-
CAS No: 29117-54-2 Catalog No: AG002XDY MDL No:MFCD00272300
Product Description
Catalog Number:
AG002XDY
Chemical Name:
1,2-Pentanediol, (2S)-
CAS Number:
29117-54-2
Molecular Formula:
C5H12O2
Molecular Weight:
104.1476
MDL Number:
MFCD00272300
IUPAC Name:
(2S)-pentane-1,2-diol
InChI:
InChI=1S/C5H12O2/c1-2-3-5(7)4-6/h5-7H,2-4H2,1H3/t5-/m0/s1
InChI Key:
WCVRQHFDJLLWFE-YFKPBYRVSA-N
SMILES:
CCC[C@@H](CO)O
Properties
Complexity:
37.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
104.084g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
104.149g/mol
Monoisotopic Mass:
104.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.