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7-Hydroxy-4-propyl-2H-1-benzopyran-2-one

7-Hydroxy-4-propyl-2H-1-benzopyran-2-one structure

CAS No:
19225-02-6
Formula:
C12H12O3
Chemical Name:
7-Hydroxy-4-propyl-2H-1-benzopyran-2-one
Synonyms:
2H-1-Benzopyran-2-one,7-hydroxy-4-propyl-;Coumarin,7-hydroxy-4-propyl-;7-Hydroxy-4-propyl-2H-1-benzopyran-2-one;7-Hydroxy-4-propylcoumarin

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7-Hydroxy-4-propyl-2H-1-benzopyran-2-one Basic Attributes

Molecular Weight：

204.22200

Exact Mass：

204.22

DSSTox ID：

DTXSID70172804

Characteristics

PSA：

50.44000

XLogP3：

2.45110

Density：

1.218g/cm3

Melting Point：

130 °C @ Solvent: Ethanol

Boiling Point：

390.9ºC at 760mmHg

Flash Point：

173.7ºC

Refractive Index：

1.577

Vapor Pressure：

1.14E-06mmHg at 25°C

Safety Information

hazard class code：

R36/37/38

safety instructions：

S26; S36/37/39

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:204.22
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:204.078644241
Monoisotopic Mass:204.078644241
Topological Polar Surface Area:46.5
Heavy Atom Count:15
Complexity:283
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 7-Hydroxy-4-propyl-2H-1-benzopyran-2-one

Basic Attributes
Characteristics
Safety Information
Computed Properties

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