Name: Name:4-[(2E)-3-carboxyprop-2-enamido]benzoic acid
Brand: Angene
SKU: AG00IV75
Rating: 90 (10 reviews)

4-[(2E)-3-carboxyprop-2-enamido]benzoic acid

CAS No.:

36847-93-5

Catalog Number:

AG00IV75

Molecular Formula:

C11H9NO5

Molecular Weight:

235.1929

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Catalog Number:

AG00IV75

Chemical Name:

4-[(2E)-3-carboxyprop-2-enamido]benzoic acid

CAS Number:

36847-93-5

Molecular Formula:

C11H9NO5

Molecular Weight:

235.1929

MDL Number:

MFCD00171065

IUPAC Name:

4-(3-carboxyprop-2-enoylamino)benzoic acid

InChI:

InChI=1S/C11H9NO5/c13-9(5-6-10(14)15)12-8-3-1-7(2-4-8)11(16)17/h1-6H,(H,12,13)(H,14,15)(H,16,17)

InChI Key:

KDCFOKATFSLHQS-UHFFFAOYSA-N

SMILES:

OC(=O)/C=C/C(=O)Nc1ccc(cc1)C(=O)O

Complexity:

342

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

235.048g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

235.195g/mol

Monoisotopic Mass:

235.048g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

104A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.1