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Hirsutenone

Hirsutenone structure

CAS No:
41137-87-5
Formula:
C19H20O5
Chemical Name:
Hirsutenone
Synonyms:
4-Hepten-3-one,1,7-bis(3,4-dihydroxyphenyl)-,(4E)-;(4E)-1,7-Bis(3,4-dihydroxyphenyl)-4-hepten-3-one;Hirsutenone;Hirsutanone;1,7-Bis-(3,4-dihydroxyphenyl)-4-hepten-3-one
Categories:
Natural Products > Phenols

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Hirsutenone Basic Attributes

Molecular Weight：

328.3591

Exact Mass：

328.36

UNII：

VQ04K2MMM5

HScode：

2914501900

Characteristics

PSA：

97.99000

XLogP3：

2.16

Density：

1.3±0.1 g/cm3

Boiling Point：

622.0±55.0 °C at 760 mmHg

Flash Point：

344.0±28.0 °C

Refractive Index：

1.649

Storage Conditions：

-20°C

Safety Information

Transport codes：

UN 3077 9 / PGIII

wgk germany：

hazard class code：

safety instructions：

Marks：

Precautionary statement(s)：

P273-P501

Hazard Statements：

H410

GHS Classification：

|Warning|H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]|P273, P391, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

hirsutanone

Computed Properties

Molecular Weight:328.4
XLogP3:3.1
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:328.13107373
Monoisotopic Mass:328.13107373
Topological Polar Surface Area:98
Heavy Atom Count:24
Complexity:422
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes