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14153-17-4

14153-17-4 | 4H-1-Benzopyran-4-one, 2,3-dihydro-5-hydroxy-2-methyl-

CAS No: 14153-17-4 Catalog No: AG001GKF MDL No:

Product Description

Catalog Number:
AG001GKF
Chemical Name:
4H-1-Benzopyran-4-one, 2,3-dihydro-5-hydroxy-2-methyl-
CAS Number:
14153-17-4
Molecular Formula:
C10H10O3
Molecular Weight:
178.1846
IUPAC Name:
5-hydroxy-2-methyl-2,3-dihydrochromen-4-one
InChI:
InChI=1S/C10H10O3/c1-6-5-8(12)10-7(11)3-2-4-9(10)13-6/h2-4,6,11H,5H2,1H3
InChI Key:
WHEIRCBYUYIIMR-UHFFFAOYSA-N
SMILES:
CC1CC(=O)c2c(O1)cccc2O

Properties

Complexity:
214  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.063g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
178.187g/mol
Monoisotopic Mass:
178.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2  

Literature

Title Journal
Metabolites from the endophytic fungus Xylaria sp. PSU-D14. Phytochemistry 20080601
[Chemical constitutents in fermental mycelium of Xylaria nigripes]. Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica 20080601
Clerodane diterpenoids from Pulicaria wightiana. Phytochemistry 20050301

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