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Cyclocoumarol

Cyclocoumarol structure

CAS No:
518-20-7
Formula:
C20H18O4
Chemical Name:
Cyclocoumarol
Synonyms:
2H,5H-Pyrano[3,2-c][1]benzopyran-5-one,3,4-dihydro-2-methoxy-2-methyl-4-phenyl-;2H-Pyran-5-carboxylic acid,3,4-dihydro-6-(o-hydroxyphenyl)-2-methoxy-2-methyl-4-phenyl-,δ-lactone;3,4-Dihydro-2-methoxy-2-methyl-4-phenyl-2H,5H-pyrano[3,2-c][1]benzopyran-5-one;BL 5;Cumopyran;Cumopyrin;3,4-Dihydro-2-methoxy-2-methyl-4-phenyl-2,5-pyrano[3,2-c][1]benzopyran-5-one;4-Hydroxycoumarin anticoagulant no. 63;3,4-(2′-Methyl-2′-methoxy-4′-phenyl)dihydropyranocoumarin;2-Methyl-2-methoxy-4-phenyl-5-oxodihydropyrano[3,2-c][1]benzopyran;Cyclocumarol;Anticoagulans 63;Methanopyranorin;Methopyranorin;Cyclocoumarol;Anticoagulant No. 63
Categories:
Analytical Chemistry > Standard

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Description

Cyclocoumarol is a member of coumarins.

Cyclocoumarol Basic Attributes

Molecular Weight：

322.35

Exact Mass：

322.35

EC Number：

208-248-3

UNII：

725P8AW50M

HScode：

2932999099

Characteristics

PSA：

44.8

XLogP3：

4.07000

Density：

1.27g/cm3

Melting Point：

166 °C

Boiling Point：

488.6ºC at 760 mmHg

Flash Point：

216.2ºC

Refractive Index：

1.624

Safety Information

Packing level：

III

Hazard category：

6.1(b)

Transport codes：

2811

wgk germany：

hazard class code：

safety instructions：

28-36/37-45

RTECS Number：

UQ0335200

Marks：

T+

Precautionary statement(s)：

P262-P280-P302 + P352 + P310-P361 + P364

Hazard Statements：

H310

Drug Information

MeSH Entry Terms：

3,4-dihydro-2-methoxy-2-methyl-4-phenyl-2H,5H-pyrano-(3,2-c)(1)-benzopyran-5-one

Computed Properties

Molecular Weight:322.4
XLogP3:3.7
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:322.12050905
Monoisotopic Mass:322.12050905
Topological Polar Surface Area:44.8
Heavy Atom Count:24
Complexity:534
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes