Home Other Building Blocks Pentaerythritol

Pentaerythritol

CAS No.:
115-77-5
Catalog Number:
AG000FKI
Molecular Formula:
C5H12O4
Molecular Weight:
136.1464
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$13
- +
25g
95%
In Stock USA
United States
$19
- +
100g
95%
In Stock USA
United States
$38
- +
500g
95%
In Stock USA
United States
$113
- +
Product Description
Catalog Number:
AG000FKI
Chemical Name:
Pentaerythritol
CAS Number:
115-77-5
Molecular Formula:
C5H12O4
Molecular Weight:
136.1464
MDL Number:
MFCD00004692
IUPAC Name:
2,2-bis(hydroxymethyl)propane-1,3-diol
InChI:
InChI=1S/C5H12O4/c6-1-5(2-7,3-8)4-9/h6-9H,1-4H2
InChI Key:
WXZMFSXDPGVJKK-UHFFFAOYSA-N
SMILES:
OCC(CO)(CO)CO
EC Number:
204-104-9
UNII:
SU420W1S6N
NSC Number:
8100
RTECS Number:
RZ2490000
Properties
Complexity:
51.8  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
136.074g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
136.147g/mol
Monoisotopic Mass:
136.074g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
80.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.4  
Literature
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Properties