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CAS Number: 6950-82-9
2-(7-hydroxy-2-oxo-2H-chromen-4-yl)acetic acid

Structure

2-(7-hydroxy-2-oxo-2H-chromen-4-yl)acetic acid
Name: 2-(7-hydroxy-2-oxo-2H-chromen-4-yl)acetic acid
Synonyms:
General Information
Product Number: 6950829

CAS Registry Number 6950-82-9
Name:
2H-​1-​Benzopyran-​4-​acetic acid, 7-​hydroxy-​2-​oxo-
7-Hydroxycoumarin-4-acetic acid
7-Hydroxycoumarin-4-ylacetic acid
NSC 642907
NSC 65625
Umbelliferone-4-acetic acid

 

Chemical Formula: C11H8O5
Exact Mass: 220.04
Molecular Weight: 220.18
m/z: 220.04 (100.0%), 221.04 (12.2%), 222.04 (1.7%)

 

InChI:InChI=1S/C11H8O5/c12-7-1-2-8-6(3-10(13)14)4-11(15)16-9(8)5-7/h1-2,4-5,12H,3H2,(H,13,14)

InChI Key:BNHPMQBVNXMPDU-UHFFFAOYSA-N

Canonical SMILES:C1=CC2=C(C=C1O)OC(=O)C=C2CC(=O)O

 

Thermal Properties Value Condition Note
Melting Point 218-219 °C Solv: isopropanol (67-63-0); water (7732-18-5) (4)CAS
Melting Point 203-204 °C   (7)CAS
Melting Point 175-176 °C   (3)IC

Specification

98%

References

(3) Nixon, Neil S.; Journal of Chemical Research, Synopses 1984, (12), P380-1 CAPLUS
(4) Dubovik, I. P.; Chemistry of Natural Compounds 2004, V40(5), P434-443 CAPLUS
(7) Dixit, V. M.; J. Ind. Chem. Soc. 1945, V22, P207-13 CAPLUS

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