7-Methoxycoumarin-3-carboxylic acid N-succinimidyl ester - ≥97% , CAS No.150321-92-9

CAS: 150321-92-9 Cat. No.: M131413 Molecular Weight: 317.25 Beilstein Registry Number: 9145767

GRADE & PURITY ≥97%

Synonyms

Succinimidyl 7-methoxycoumarin-3-carboxylate | 7-Methoxycoumarin-3-carbonic acid N-succinimidyl ester | 7-Methoxycoumarin-3-carboxylic acid, SE | AKOS015911915 | J-100199 | 7-Methoxycoumarin-3-carboxylicacid,succinimidyl ester | F05-0015 | HY-D1083 | 7-Me

Storage

Room temperature

Shipped In

Normal

Overview

Used for labelling neuropeptides and other peptides.

Specifications

Synonyms

Succinimidyl 7-methoxycoumarin-3-carboxylate | 7-Methoxycoumarin-3-carbonic acid N-succinimidyl ester | 7-Methoxycoumarin-3-carboxylic acid, SE | AKOS015911915 | J-100199 | 7-Methoxycoumarin-3-carboxylicacid, succinimidyl ester | F05-0015 | HY-D1083 | 7-Me

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488193169
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488193169
• Canonical Smiles: COC1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)ON3C(=O)CCC3=O
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 7-methoxy-2-oxochromene-3-carboxylate
• InChIKey: JMQAALOXLOSYCQ-UHFFFAOYSA-N
• INCHI: 1S/C15H11NO7/c1-21-9-3-2-8-6-10(14(19)22-11(8)7-9)15(20)23-16-12(17)4-5-13(16)18/h2-3,6-7H,4-5H2,1H3
• Isomeric SMILES: COC1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)ON3C(=O)CCC3=O
• Molecular Weight: 317.25
• Beilstein: 9145767
• Reaxy-Rn: 9145767
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9145767&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Class Coumarins and derivatives

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Class: Coumarins and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Coumarins and derivatives
• Alternative Parents: 1-benzopyrans Anisoles Pyranones and derivatives Alkyl aryl ethers Pyrrolidine-2-ones Heteroaromatic compounds Dicarboximides Lactones Lactams Carboxylic acid salts Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic salts Organonitrogen compounds Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Coumarin - Benzopyran - 1-benzopyran - Anisole - Alkyl aryl ether - Pyranone - Pyran - Pyrrolidone - 2-pyrrolidone - Benzenoid - Dicarboximide - Heteroaromatic compound - Pyrrolidine - Carboxylic acid salt - Lactone - Lactam - Oxacycle - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Organic salt - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: Light Sensitive,Air Sensitive,Moisture Sensitive,Heat Sensitive
• Molecular Weight: 317.250 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 317.054 Da
• Monoisotopic Mass: 317.054 Da
• Topological Polar Surface Area: 99.200 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 581.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1