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100059-44-7 | Phenol, 2,6-dimethoxy-, 1-propanoate
CAS No: 100059-44-7 Catalog No: AG0000SL MDL No:
Product Description
Catalog Number:
AG0000SL
Chemical Name:
Phenol, 2,6-dimethoxy-, 1-propanoate
CAS Number:
100059-44-7
Molecular Formula:
C11H14O4
Molecular Weight:
210.2265
IUPAC Name:
2,6-dimethoxyphenol;propanoic acid
InChI:
InChI=1S/C8H10O3.C3H6O2/c1-10-6-4-3-5-7(11-2)8(6)9;1-2-3(4)5/h3-5,9H,1-2H3;2H2,1H3,(H,4,5)
InChI Key:
TVLSCKURFCYHEE-UHFFFAOYSA-N
SMILES:
CCC(=O)Oc1c(OC)cccc1OC
Properties
Complexity:
144
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.1g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
228.244g/mol
Monoisotopic Mass:
228.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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