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CAS Number: 1269695-63-7
5-chlorochroman-3-carboxylic acid

Structure

5-chlorochroman-3-carboxylic acid
Name: 5-chlorochroman-3-carboxylic acid
Synonyms:
General Information
Product Number: 1269695637

CAS Registry Number 1269695-63-7
Name:
2H-?1-?Benzopyran-?3-?carboxylic acid, 5-?chloro-?3,?4-?dihydro-
5-Chloro-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid

 

Chemical Formula: C10H9ClO3
Exact Mass: 212.02
Molecular Weight: 212.63
m/z: 212.02 (100.0%), 214.02 (32.0%), 213.03 (11.0%), 215.02 (3.5%), 214.03 (1.2%)

 

InChI:InChI=1S/C10H9ClO3/c11-8-2-1-3-9-7(8)4-6(5-14-9)10(12)13/h1-3,6H,4-5H2,(H,12,13)

InChI Key:LJVZJTXYAQJLQD-UHFFFAOYSA-N

Canonical SMILES:C1C(COC2=C1C(=CC=C2)Cl)C(=O)O

 

Thermal Properties Value Condition Note
Melting Point 129.5-130 °C Solv: ethyl acetate (141-78-6); hexane (110-54-3) (1)CAS

Specification

98%

References

(1) Parker, Matthew A.; Molecules 2011, V16, P281-290 CAPLUS

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