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(-)-Anisatin

(-)-Anisatin structure

CAS No:
5230-87-5
Formula:
C15H20O8
Chemical Name:
(-)-Anisatin
Synonyms:
Spiro[4H-4,9a-methanocyclopent[d]oxocin-6(2H),3′-oxetane]-2,2′-dione,hexahydro-1,5,6a,7-tetrahydroxy-5,9-dimethyl-,(1R,3′S,4R,5R,6aR,7R,9R,9aS)-;Spiro[6H-4,9a-methanocyclopent[d]oxocin-6,3′-oxetane]-2,2′(1H)-dione,4aβ,5,6a,7,8,9-hexahydro-1α,5β,6aβ,7β-tetrahydroxy-5,9α-dimethyl-;Spiro[6H-4,9a-methanocyclopent[d]oxocin-6,3′-oxetane]-2,2′(1H)-dione,hexahydro-1,5,6a,7-tetrahydroxy-5,9-dimethyl-,[1R-(1α,4β,5β,6β,6aβ,7β,9α,9aβ)]-;Anisatin;Spiro[6H-4,9a-methanocyclopent[d]oxocin-6,3′-oxetane]-2,2′(1H)-dione,hexahydro-1,5,6a,7-tetrahydroxy-5,9-dimethyl-,(1R,3′S,4R,5R,6aR,7R,9R,9aS)-;(1R,3′S,4R,5R,6aR,7R,9R,9aS)-Hexahydro-1,5,6a,7-tetrahydroxy-5,9-dimethylspiro[4H-4,9a-methanocyclopent[d]oxocin-6(2H),3′-oxetane]-2,2′-dione;(-)-Anisatin;11011-16-8;18437-03-1
Categories:
Analytical Chemistry > Standard

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(-)-Anisatin Basic Attributes

Molecular Weight：

328.31

Exact Mass：

328.31

UNII：

W9K8802FZL

DSSTox ID：

DTXSID6058396

Characteristics

PSA：

133.52000

Density：

1.149g/cm3

Melting Point：

227-228 °C

Boiling Point：

251.2ºC at 760 mmHg

Flash Point：

106.7ºC

Refractive Index：

1.486

Storage Conditions：

-20°C

Toxicity：

LDLo orl-mus: 1 mg/kg CPBTAL 44,1908,1996

Safety Information

Transport codes：

UN 2811 6.1 / PGII

wgk germany：

hazard class code：

26/28

safety instructions：

26-36/37/39-45

RTECS Number：

WH1314700

Marks：

T+

Precautionary statement(s)：

P260-P264-P284-P301 + P310-P310

Hazard Statements：

H300 + H330

GHS Classification：

Not Classified

Drug Information

MeSH Entry Terms：

anisatin

Computed Properties

Molecular Weight:328.31
XLogP3:-1.9
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:8
Exact Mass:328.11581759
Monoisotopic Mass:328.11581759
Topological Polar Surface Area:134
Heavy Atom Count:23
Complexity:621
Defined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes