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4-Carboxy-2-methylphenylisothiocyanate

4-Carboxy-2-methylphenylisothiocyanate structure

CAS No:
1027513-23-0
Formula:
C9H7NO2S
Chemical Name:
4-Carboxy-2-methylphenylisothiocyanate
Synonyms:
4-Carboxy-2-methylphenylisothiocyanate;4-isothiocyanato-3-methylbenzoic acid;SCHEMBL3398382;DTXSID80653437;ZINC31829468;AKOS006326512;FS-6574

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4-Carboxy-2-methylphenylisothiocyanate Basic Attributes

Molecular Weight：

193.22238

Exact Mass：

193.02

DSSTox ID：

DTXSID80653437

Characteristics

PSA：

81.8

XLogP3：

3.2

Density：

1.23±0.1 g/cm3(Predicted)

Boiling Point：

372.3±35.0 °C(Predicted)

Computed Properties

Molecular Weight:193.22
XLogP3:3.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:193.01974964
Monoisotopic Mass:193.01974964
Topological Polar Surface Area:81.8
Heavy Atom Count:13
Complexity:248
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-Carboxy-2-methylphenylisothiocyanate

Basic Attributes
Characteristics
Computed Properties

4-Carboxy-2-methylphenylisothiocyanate

SDS

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