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5-Benzylsulfanylmethyl-furan-2-carboxylicacid

5-Benzylsulfanylmethyl-furan-2-carboxylicacid structure

CAS No:
91903-26-3
Formula:
C13H12O3S
Chemical Name:
5-Benzylsulfanylmethyl-furan-2-carboxylicacid

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5-Benzylsulfanylmethyl-furan-2-carboxylicacid Basic Attributes

Molecular Weight：

248.3

Exact Mass：

248.05100

DSSTox ID：

DTXSID50353417

HScode：

2932190090

Characteristics

PSA：

75.74000

XLogP3：

3.41120

Density：

1.291g/cm3

Melting Point：

122-123 °C

Boiling Point：

417ºC at 760mmHg

Flash Point：

206ºC

Refractive Index：

1.619

Computed Properties

Molecular Weight:248.30
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:248.05071541
Monoisotopic Mass:248.05071541
Topological Polar Surface Area:75.7
Heavy Atom Count:17
Complexity:251
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-Benzylsulfanylmethyl-furan-2-carboxylicacid

Basic Attributes
Characteristics
Computed Properties

5-Benzylsulfanylmethyl-furan-2-carboxylicacid

SDS

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