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123900-15-2 | Phenol, ethyl-, 1-propanoate
CAS No: 123900-15-2 Catalog No: AG000L80 MDL No:
Product Description
Catalog Number:
AG000L80
Chemical Name:
Phenol, ethyl-, 1-propanoate
CAS Number:
123900-15-2
Molecular Formula:
C11H14O2
Molecular Weight:
178.2277
IUPAC Name:
2-ethylphenol;propanoic acid
InChI:
InChI=1S/C8H10O.C3H6O2/c1-2-7-5-3-4-6-8(7)9;1-2-3(4)5/h3-6,9H,2H2,1H3;2H2,1H3,(H,4,5)
InChI Key:
MWQUFSUXEVKPPZ-UHFFFAOYSA-N
SMILES:
CCC(=O)Oc1ccccc1CC
Properties
Complexity:
121
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.11g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
196.246g/mol
Monoisotopic Mass:
196.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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