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25147-76-6 | 1,2,4-BENZENETRIMETHANOL
CAS No: 25147-76-6 Catalog No: AG002QNA MDL No:
Product Description
Catalog Number:
AG002QNA
Chemical Name:
1,2,4-BENZENETRIMETHANOL
CAS Number:
25147-76-6
Molecular Formula:
C9H12O3
Molecular Weight:
168.1898
IUPAC Name:
[3,4-bis(hydroxymethyl)phenyl]methanol
InChI:
InChI=1S/C9H12O3/c10-4-7-1-2-8(5-11)9(3-7)6-12/h1-3,10-12H,4-6H2
InChI Key:
GURNOUFKCXPLSC-UHFFFAOYSA-N
SMILES:
OCc1ccc(c(c1)CO)CO
Properties
Complexity:
127
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
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