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15770-88-4 | 1,4-Benzenediol, 2,6-dimethyl-, 4-benzoate
CAS No: 15770-88-4 Catalog No: AG001PMY MDL No:
Product Description
Catalog Number:
AG001PMY
Chemical Name:
1,4-Benzenediol, 2,6-dimethyl-, 4-benzoate
CAS Number:
15770-88-4
Molecular Formula:
C15H14O3
Molecular Weight:
242.2699
IUPAC Name:
(4-hydroxy-3,5-dimethylphenyl) benzoate
InChI:
InChI=1S/C15H14O3/c1-10-8-13(9-11(2)14(10)16)18-15(17)12-6-4-3-5-7-12/h3-9,16H,1-2H3
InChI Key:
IAMGWSKZBAUVET-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)Oc1cc(C)c(c(c1)C)O
NSC Number:
43901
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.094g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.274g/mol
Monoisotopic Mass:
242.094g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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