Accuracy

methyl hydroxyacetate   1316 Methyl hydroxyacetate

(Previous)     (Back)     (Next)         Geometry predicted using PM7

    

    #  Species Formula
  1306 Be3O3Be3O3
  1307 Boric acid, B(OH)3 (Geo)H3BO3
  1308 TrihydroxyboraneH3BO3
  1309 B2O3B2O3
  1310 Diboron trioxide (Geo)B2O3
  1311 B2O3H2H2B2O3
  1312 B2O3H2 (Geo)H2B2O3
  1313 B3O3H3H3B3O3
  1314 B3O3H3 (Geo)H3B3O3
  1315 1,3,5-TrioxaneC3H6O3
  1316 Methyl hydroxyacetate C3H6O3
  1317 GlycerolC3H8O3
  1318 Trimethoxyborane (Geo)H9BC3O3
  1319 TrimethoxyboraneH9BC3O3
  1320 Maleic anhydrideC4H2O3
  1321 Acetic anhydrideC4H6O3
  1322 TrimethoxymethaneC4H10O3
  1323 2,5,8-TrioxanonaneC6H14O3
  1324 TriethoxyboraneH15BC6O3
  1325 m-Salicylic acidC7H6O3
  1326 o-Salicylic acidC7H6O3


ΔHf: -133.1 kcal/mol,     REF: NIST Chemistry WebBook, NIST Standard Reference Database, No. 69; W. G. Mallard, P. J. Linstrom, Eds., National Institute of Standards and Technology, Gaithersberg, http://webbook.nist.gov/chemistry.
  
 PM7
Methyl hydroxyacetate
 H=-133.1 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     1.42639755 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.35111726 +1  116.1219396 +1    0.0000000 +0     2     1     0
  C     1.50955120 +1  110.3036039 +1  179.9818540 +1     3     2     1
  O     1.40641803 +1  111.4771755 +1  179.1329382 +1     4     3     2
  O     1.20413467 +1  123.8673521 +1    0.1145943 +1     3     2     1
  H     1.09659287 +1  102.8157566 +1 -179.9718009 +1     1     2     3
  H     1.09533115 +1  110.1736784 +1   61.1237709 +1     1     2     3
  H     1.09533341 +1  110.1891748 +1  -61.0533889 +1     1     2     3
  H     1.11040173 +1  111.7907944 +1   60.6898603 +1     4     3     2
  H     1.11034985 +1  111.6959593 +1  -62.0377379 +1     4     3     2
  H     0.98815645 +1  111.1737128 +1    2.2329737 +1     5     4     3