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2937-61-3 | 1,3,5-Benzenetrimethanol, 2-hydroxy-
CAS No: 2937-61-3 Catalog No: AG002Y6F MDL No:
Product Description
Catalog Number:
AG002Y6F
Chemical Name:
1,3,5-Benzenetrimethanol, 2-hydroxy-
CAS Number:
2937-61-3
Molecular Formula:
C9H12O4
Molecular Weight:
184.1892
IUPAC Name:
2,4,6-tris(hydroxymethyl)phenol
InChI:
InChI=1S/C9H12O4/c10-3-6-1-7(4-11)9(13)8(2-6)5-12/h1-2,10-13H,3-5H2
InChI Key:
LSYXXLMBRSSBGS-UHFFFAOYSA-N
SMILES:
OCc1cc(CO)c(c(c1)CO)O
EC Number:
220-921-3
UNII:
4JW5B05026
Properties
Complexity:
137
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.074g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
184.191g/mol
Monoisotopic Mass:
184.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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