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Home > Encyclopedia > 4-[(E)-but-2-enoyl]-3-methoxy-5-methylbenzoic acid

4-[(E)-but-2-enoyl]-3-methoxy-5-methylbenzoic acid

4-[(E)-but-2-enoyl]-3-methoxy-5-methylbenzoic acid structure

4-[(E)-but-2-enoyl]-3-methoxy-5-methylbenzoic acid 

structure
  • CAS No:

    79214-49-6

  • Formula:

    C13H14O4

  • Chemical Name:

    4-[(E)-but-2-enoyl]-3-methoxy-5-methylbenzoic acid

  • Synonyms:

    pyrenochaetic acid A; Benzoic acid,3-methoxy-5-methyl-4-(1-oxo-2-butenyl);

4-[(E)-but-2-enoyl]-3-methoxy-5-methylbenzoic acid Basic Attributes

234.24800

234.08920892

W0H0AYP1Q1

Characteristics

63.60000

2.46060

1.168g/cm3

434.2ºC at 760 mmHg

167.2ºC

1.552

Computed Properties

Molecular Weight:234.25
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:234.08920892
Monoisotopic Mass:234.08920892
Topological Polar Surface Area:63.6
Heavy Atom Count:17
Complexity:321
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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