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2-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)-3H-1,3-thiazol-4-yl]acetate

2-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)-3H-1,3-thiazol-4-yl]acetate structure

CAS No:
23551-34-0
Formula:
C11H9NO3S
Chemical Name:
2-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)-3H-1,3-thiazol-4-yl]acetate

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2-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)-3H-1,3-thiazol-4-yl]acetate Basic Attributes

Molecular Weight：

235.25900

Exact Mass：

235.03031432 g/mol

DSSTox ID：

DTXSID40427838

HScode：

2934100090

Characteristics

PSA：

98.66000

XLogP3：

2.14280

Boiling Point：

420.6ºC at 760mmHg

Flash Point：

208.2ºC

Vapor Pressure：

2.97E-08mmHg at 25°C

Computed Properties

Molecular Weight:235.26
XLogP3:1.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:235.03031432
Monoisotopic Mass:235.03031432
Topological Polar Surface Area:98.7
Heavy Atom Count:16
Complexity:254
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)-3H-1,3-thiazol-4-yl]acetate

Basic Attributes
Characteristics
Computed Properties

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