Cas no 106748-24-7 (Methyl 3-carbamoylbenzoate)

Methyl 3-carbamoylbenzoate structure
Methyl 3-carbamoylbenzoate structure
Product Name:Methyl 3-carbamoylbenzoate
CAS No:106748-24-7
MF:C9H9NO3
MW:179.172662496567
MDL:MFCD06245500
CID:171017
PubChem ID:184711
Update Time:2025-04-19

Methyl 3-carbamoylbenzoate Chemical and Physical Properties

Names and Identifiers

    • Methyl 3-carbamoylbenzoate
    • Methyl 3-(aminocarbonyl)benzoate
    • AC1L4FEK
    • AC1Q5Z9Z
    • isophthalamic acid methyl ester
    • Isophthalamidsaeure-methylester
    • Methyl isophthalamate
    • PubChem16125
    • Benzoic acid, 3-(aMinocarbonyl)-, Methyl ester
    • 3-(Methoxycarbonyl)benzamide, Methyl isophthalamate
    • A801495
    • SY272101
    • Methyl3-carbamoylbenzoate
    • FS-1736
    • MFCD06245500
    • Benzoic acid,3-(aminocarbonyl)-, methyl ester
    • D94838
    • 106748-24-7
    • CS-0150664
    • 3-Carbamoylbenzoic acid methyl ester
    • SCHEMBL2490695
    • FT-0677326
    • DTXSID30147750
    • AKOS006229219
    • methyl3-(aminocarbonyl)benzoate
    • MNDFXDXRMYURMC-UHFFFAOYSA-N
    • Methyl 3-(aminocarbonyl)benzoate, AldrichCPR
    • Z326029350
    • DB-059503
    • Methyl 3-carbamoyl-benzoate
    • MDL: MFCD06245500
    • Inchi: 1S/C9H9NO3/c1-13-9(12)7-4-2-3-6(5-7)8(10)11/h2-5H,1H3,(H2,10,11)
    • InChI Key: MNDFXDXRMYURMC-UHFFFAOYSA-N
    • SMILES: O(C)C(C1C=CC=C(C(N)=O)C=1)=O

Computed Properties

  • Exact Mass: 179.05827
  • Monoisotopic Mass: 179.058243
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 215
  • 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
  • Topological Polar Surface Area: 69.4
  • Surface Charge: 0
  • Tautomer Count: 2
  • XLogP3: nothing

Experimental Properties

  • Density: 1.2±0.1 g/cm3
  • Melting Point: 147-150 °C
  • Boiling Point: 318.5±25.0 °C at 760 mmHg
  • Flash Point: 167.4±19.5 °C
  • Refractive Index: 1.556
  • PSA: 69.39
  • LogP: 1.27240
  • Vapor Pressure: 0.0±0.7 mmHg at 25°C

Methyl 3-carbamoylbenzoate Pricemore >>

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