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cis-Isosafrole

cis-Isosafrole structure

CAS No:
17627-76-8
Formula:
C10H10O2
Chemical Name:
cis-Isosafrole
Synonyms:
1,3-Benzodioxole,5-(1Z)-1-propen-1-yl-;Benzene,1,2-(methylenedioxy)-4-propenyl-,(Z)-;1,3-Benzodioxole,5-(1-propenyl)-,(Z)-;1,3-Benzodioxole,5-(1Z)-1-propenyl-;5-(1Z)-1-Propen-1-yl-1,3-benzodioxole;α-Isosafrole;cis-Isosafrole;(Z)-Isosafrole
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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cis-Isosafrole Basic Attributes

Molecular Weight：

162.18 g/mol

Exact Mass：

162.19

EC Number：

241-611-4

UNII：

253QUA24R1

NSC Number：

92436|59192|4884

Characteristics

PSA：

18.5 Å²

Density：

1.1073 g/cm³ @ Temp: 13.5 °C

Melting Point：

-21.9 °C

Boiling Point：

241.3-242.5 °C @ Press: 743 Torr

Drug Information

MeSH Entry Terms：

4-propenyl-1,2-methylenedioxybenzene

Computed Properties

Molecular Weight:162.18
XLogP3:3.1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:162.068079557
Monoisotopic Mass:162.068079557
Topological Polar Surface Area:18.5
Heavy Atom Count:12
Complexity:177
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes