Home Other Building Blocks 1,3,5-Benzenetrimethanol

1,3,5-Benzenetrimethanol

CAS No.:
4464-18-0
Catalog Number:
AG003DG5
Molecular Formula:
C9H12O3
Molecular Weight:
168.1898
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$32
- +
5g
98%
In Stock USA
United States
$94
- +
25g
98%
In Stock USA
United States
$375
- +
Product Description
Catalog Number:
AG003DG5
Chemical Name:
1,3,5-Benzenetrimethanol
CAS Number:
4464-18-0
Molecular Formula:
C9H12O3
Molecular Weight:
168.1898
MDL Number:
MFCD01108484
IUPAC Name:
[3,5-bis(hydroxymethyl)phenyl]methanol
InChI:
InChI=1S/C9H12O3/c10-4-7-1-8(5-11)3-9(2-7)6-12/h1-3,10-12H,4-6H2
InChI Key:
SQAMZFDWYRVIMG-UHFFFAOYSA-N
SMILES:
OCc1cc(CO)cc(c1)CO
Properties
Complexity:
91.2  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.079g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
168.192g/mol
Monoisotopic Mass:
168.079g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7  
Properties