4-Methoxycinnamic acid

• CAS: 943-89-5
• Catalog Number: ACM943895
• Category: Other Products
• Molecular Weight: 178.18g/mol
• Molecular Formula: C10H10O3
• Description: Solid
• IUPAC Name: (E)-3-(4-methoxyphenyl)prop-2-enoic acid
• Canonical SMILES: COC1=CC=C(C=C1)C=CC(=O)O
• InChI: InChI=1S/C10H10O3/c1-13-9-5-2-8(3-6-9)4-7-10(11)12/h2-7H,1H3,(H,11,12)/b7-4+
• InChI Key: AFDXODALSZRGIH-QPJJXVBHSA-N
• Melting Point: 173-175°C
• Solubility: 0.712 mg/mL at 25 °C
• Complexity: 190
• Covalently-Bonded Unit Count: 1
• EC Number: 212-594-0;213-405-4
• Exact Mass: 178.062994g/mol
• Formal Charge: 0
• H-Bond Acceptor: 3
• H-Bond Donor: 1
• Heavy Atom Count: 13
• LogP: 2.68
• Monoisotopic Mass: 178.062994g/mol
• NSC Number: 623437;5303
• Rotatable Bond Count: 3
• UNII: 6G4ML8401A
• XLogP3: 1.8

Custom Q&A

What is the PubChem CID for 4-Methoxycinnamic acid?

PubChem CID: 699414

What is the molecular formula of 4-Methoxycinnamic acid?

Molecular Formula: C10H10O3

What is the molecular weight of 4-Methoxycinnamic acid?

Molecular Weight: 178.18 g/mol

What is the IUPAC name of 4-Methoxycinnamic acid?

IUPAC Name: (E)-3-(4-methoxyphenyl)prop-2-enoic acid

What is the InChI Key of 4-Methoxycinnamic acid?

InChIKey: AFDXODALSZRGIH-QPJJXVBHSA-N

What is the canonical SMILES of 4-Methoxycinnamic acid?

Canonical SMILES: COC1=CC=C(C=C1)C=CC(=O)O

What is the CAS number of 4-Methoxycinnamic acid?

CAS number: 943-89-5

What is the XLogP3 value of 4-Methoxycinnamic acid?

XLogP3 value: 1.8

How many hydrogen bond donor counts are there in 4-Methoxycinnamic acid?

Hydrogen Bond Donor Count: 1

What is the topological polar surface area of 4-Methoxycinnamic acid?

Topological Polar Surface Area: 46.5 ?2