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C₁₈H₁₇NO₅CAS 53902-17-3327.34 g/mol

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Alkene Amide Carboxylic acid Ether

Properties

Molecular formula: C₁₈H₁₇NO₅
Molar mass: 327.34 g/mol
Exact mass: 327.1107 Da
logP: 3.05Crippen estimate
Polar surface area: 84.9 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 6
Double bonds: EE/Z, in SMILES order

Hazards

Warning

H302 Harmful if swallowed100% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number

53902-17-3

SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)NC2=CC=CC=C2C(=O)O)OC

InChIKey

NZHGWWWHIYHZNX-CSKARUKUSA-N

InChI

InChI=1S/C18H17NO5/c1-23-15-9-7-12(11-16(15)24-2)8-10-17(20)19-14-6-4-3-5-13(14)18(21)22/h3-11H,1-2H3,(H,19,20)(H,21,22)/b10-8+

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Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Tranilast53902-12-8Stereo not defined

Similar compounds

3,4-Dimethoxycinnamic acid14737-89-453 % similar 3′,4′-Dimethoxycinnamic acid2316-26-953 % similar Dimethylcurcumin52328-98-048 % similar 2-Methoxybenzoic acid529-75-947 % similar o-Anisic acid579-75-947 % similar 4-Benzyloxy-3-methoxycinnamic acid7152-95-646 % similar 3-[4-(Acetyloxy)-3-methoxyphenyl]-2-propenoic acid2596-47-644 % similar 4-Methoxy-1-naphthalenecarboxylic acid13041-62-843 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Fmoc-D-ser-oh116861-26-8 Fmoc-L-serine73724-45-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook