Cas no 1807940-69-7 (3-(2-methylphenyl)but-2-enoic acid)

3-(2-methylphenyl)but-2-enoic acid structure
1807940-69-7 structure
Product Name:3-(2-methylphenyl)but-2-enoic acid
CAS No:1807940-69-7
MF:C11H12O2
MW:176.211783409119
CID:3053756
PubChem ID:6106909
Update Time:2025-04-21

3-(2-methylphenyl)but-2-enoic acid Chemical and Physical Properties

Names and Identifiers

    • 3-(2-methylphenyl)but-2-enoic acid
    • 100994-10-3
    • 3-(o-Tolyl)but-2-enoic acid
    • G19969
    • (E)-3-(o-Tolyl)but-2-enoic acid
    • (2E)-3-(2-methylphenyl)but-2-enoic acid
    • (E)-3-(2-methylphenyl)but-2-enoic acid
    • 3-O-TOLYL-BUT-2-ENOIC ACID
    • 1807940-69-7
    • SCHEMBL17755159
    • CS-0356612
    • EN300-78964
    • Z352748716
    • AKOS005217574
    • CS-0261540
    • Inchi: 1S/C11H12O2/c1-8-5-3-4-6-10(8)9(2)7-11(12)13/h3-7H,1-2H3,(H,12,13)/b9-7+
    • InChI Key: UQMZDSZTHBWRGZ-VQHVLOKHSA-N
    • SMILES: OC(/C=C(\C)/C1C=CC=CC=1C)=O

Computed Properties

  • Exact Mass: 176.083729621Da
  • Monoisotopic Mass: 176.083729621Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 218
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.9
  • Topological Polar Surface Area: 37.3?2

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Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
M356650-25mg
3-(2-methylphenyl)but-2-enoic acid
1807940-69-7
25mg
$ 50.00 2022-06-03
TRC
M356650-50mg
3-(2-methylphenyl)but-2-enoic acid
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50mg
$ 95.00 2022-06-03
TRC
M356650-250mg
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$ 320.00 2022-06-03
Enamine
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1807940-69-7 95.0%
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1807940-69-7 95.0%
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$78.0 2025-02-20
Enamine
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Enamine
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Enamine
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Enamine
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Enamine
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