Home Other Building Blocks 2-(4-hydroxyphenyl)propane-1,3-diol

2-(4-hydroxyphenyl)propane-1,3-diol

CAS No.:
203303-03-1
Catalog Number:
AG01DW5F
Molecular Formula:
C9H12O3
Molecular Weight:
168.1898
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Product Description
Catalog Number:
AG01DW5F
Chemical Name:
2-(4-hydroxyphenyl)propane-1,3-diol
CAS Number:
203303-03-1
Molecular Formula:
C9H12O3
Molecular Weight:
168.1898
MDL Number:
MFCD00209654
IUPAC Name:
2-(4-hydroxyphenyl)propane-1,3-diol
InChI:
InChI=1S/C9H12O3/c10-5-8(6-11)7-1-3-9(12)4-2-7/h1-4,8,10-12H,5-6H2
InChI Key:
OHQCBEWNAYWDNA-UHFFFAOYSA-N
SMILES:
OCC(c1ccc(cc1)O)CO
Properties
Complexity:
115  
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:
0.5  
Properties