Cas no 67853-03-6 (Methyl 3-(hydroxymethyl)benzoate)

Methyl 3-(hydroxymethyl)benzoate structure
67853-03-6 structure
Product Name:Methyl 3-(hydroxymethyl)benzoate
CAS No:67853-03-6
MF:C9H10O3
MW:166.173902988434
MDL:MFCD06202752
CID:507729
PubChem ID:155058
Update Time:2025-04-19

Methyl 3-(hydroxymethyl)benzoate Chemical and Physical Properties

Names and Identifiers

    • Methyl 3-(hydroxymethyl)benzoate
    • Benzoic acid, 3-(hydroxymethyl)-, methyl ester
    • METHYL (3-HYDROXYMETHYL)BENZOATE
    • 3-fluoro-5-hydroxymethyl-benzoic acid methyl ester
    • 3-hydroxymethylbenzoic acid methyl ester
    • 3-Hydroxymethyl-benzoic acid methyl ester
    • AC1L4DJF
    • AC1Q430K
    • CTK2F4263
    • Methyl 3-hydroxymethylbenzoate
    • methyl m-hydroxymethylbenzoate
    • m-methoxycarbonylbenzyl alcohol
    • SBB059613
    • SureCN40012
    • FGOQWQMPNSYDBL-UHFFFAOYSA-N
    • RW3801
    • 0452AC
    • NE26400
    • RP22883
    • AK122140
    • 3-(Hydroxymethyl)b
    • FT-0646471
    • 67853-03-6
    • Z431953134
    • J-512650
    • AKOS009591632
    • DTXSID50218092
    • MFCD06202752
    • AC-24338
    • EN300-65946
    • CS-0096392
    • SCHEMBL40012
    • AB9726
    • BS-13677
    • Methyl3-(hydroxymethyl)benzoate
    • AMY30321
    • Methyl m-Hydroxymethylbenzoate; 3-(Methoxycarbonyl)benzyl Alcohol;
    • DA-21101
    • MDL: MFCD06202752
    • Inchi: 1S/C9H10O3/c1-12-9(11)8-4-2-3-7(5-8)6-10/h2-5,10H,6H2,1H3
    • InChI Key: FGOQWQMPNSYDBL-UHFFFAOYSA-N
    • SMILES: OCC1C=CC=C(C(=O)OC)C=1

Computed Properties

  • Exact Mass: 166.063
  • Monoisotopic Mass: 166.063
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 156
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.5
  • Topological Polar Surface Area: 46.5

Experimental Properties

  • Density: 1.177
  • Boiling Point: 296.5℃/760mmHg
  • Flash Point: 129.9°C
  • Refractive Index: 1.542
  • PSA: 46.53
  • LogP: 0.96550

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