Cas no 7508-04-5 ( )

  structure
  structure
Product Name: 
CAS No:7508-04-5
MF:C12H16O3
MW:208.253643989563
MDL:MFCD00021791
CID:981276
PubChem ID:344501
Update Time:2025-04-19

  Chemical and Physical Properties

Names and Identifiers

    • 5-(4-METHOXYPHENYL)PENTANOIC ACID
    • 5-(4'-methoxyphenyl)pentanoic acid
    • 5-(4-methoxyphenyl)-pentanoic acid
    • 5-(4-Methoxy-phenyl)-valeriansaeure
    • 5-(4-methoxy-phenyl)-valeric acid
    • 5-< 4-Methoxy-phenyl> -valeriansaeure
    • 5-< p-Methoxy-phenyl> -valeriansaeure
    • AC1L80P2
    • AC1Q4CHR
    • CTK7A3695
    • NSC401464
    • PubChem16864
    • SureCN1171967
    • T6569828
    • 7508-04-5
    • NS-02297
    • EN300-54340
    • 5-(4-methoxyphenyl)pentanoicacid
    • BGPOHJSGSYVQSU-UHFFFAOYSA-N
    • AS-871/43475607
    • F77020
    • DTXSID10322523
    • AKOS009242757
    • Z361415678
    • NSC-401464
    • LH0076
    • 5-(4-methoxy-phenyl)-pentanoic acid
    • SCHEMBL1171967
    • MFCD00021791
    • SY174688
    • DB-332661
    • &nbsp;
    • MDL: MFCD00021791
    • Inchi: 1S/C12H16O3/c1-15-11-8-6-10(7-9-11)4-2-3-5-12(13)14/h6-9H,2-5H2,1H3,(H,13,14)
    • InChI Key: BGPOHJSGSYVQSU-UHFFFAOYSA-N
    • SMILES: O(C)C1C=CC(=CC=1)CCCCC(=O)O

Computed Properties

  • Exact Mass: 208.10998
  • Monoisotopic Mass: 208.11
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 6
  • Complexity: 183
  • 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: 2.7
  • Topological Polar Surface Area: 46.5A^2

Experimental Properties

  • Density: 1.093
  • Melting Point: 112-114 °C
  • Boiling Point: 371.5°C at 760 mmHg
  • Flash Point: 142.3°C
  • Refractive Index: 1.52
  • PSA: 46.53
  • LogP: 2.49260
  • Vapor Pressure: 0.0±0.9 mmHg at 25°C

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SHANG HAI YI EN HUA XUE JI SHU Co., Ltd.
R026974-250mg
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