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Propiovanillone

Propiovanillone structure

CAS No:
1835-14-9
Formula:
C10H12O3
Chemical Name:
Propiovanillone
Synonyms:
1-Propanone,1-(4-hydroxy-3-methoxyphenyl)-;Propiophenone,4′-hydroxy-3′-methoxy-;1-(4-Hydroxy-3-methoxyphenyl)-1-propanone;Propioguaiacone;Propiovanillone;Guaiacyl-1-propanone;Ethyl guaiacyl ketone;Propioguaiacol;4′-Hydroxy-3′-methoxypropiophenone;α-Guaiacyl ethyl ketone;α-Guaiacylpropanone;1-(3-Methoxy-4-hydroxyphenyl)-1-propanone;1-Propiovanillone;1-(4-Hydroxy-3-methoxyphenyl)propan-1-one;NSC 16691;1-(4-Hydroxy-3-methoxyphenyl)propanone;1-Hydroxy-2-methoxy-4-propionylbenzene;1-(4′-Hydroxy-3′-methoxyphenyl)propan-1-one
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Propiovanillone Basic Attributes

Molecular Weight：

180.2

Exact Mass：

180.20

NSC Number：

16691

DSSTox ID：

DTXSID2075057

HScode：

2914509090

Characteristics

PSA：

46.53000

XLogP3：

1.99350

Density：

1.126±0.06 g/cm3

Melting Point：

61-62 °C

Boiling Point：

180-185 °C @ Press: 15 Torr

Flash Point：

126.9ºC

Refractive Index：

1.531

Vapor Pressure：

0.000166mmHg at 25°C

PKA：

8.92±0.31

Safety Information

hazard class code：

25-51/53

safety instructions：

45-61

Marks：

T,N

Computed Properties

Molecular Weight:180.20
XLogP3:1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:180.078644241
Monoisotopic Mass:180.078644241
Topological Polar Surface Area:46.5
Heavy Atom Count:13
Complexity:179
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes