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2,3,3a,5,6,6a-hexahydropentalene-1,4-dione

2,3,3a,5,6,6a-hexahydropentalene-1,4-dione structure

CAS No:
77483-80-8
Formula:
C8H10O2
Chemical Name:
2,3,3a,5,6,6a-hexahydropentalene-1,4-dione
Synonyms:
2,3,3a,5,6,6a-hexahydropentalene-1,4-dione;77483-80-8;perhydropentalene-1,4-dione;bicyclo[3.3.0]octane-2,6-dione;NSC245872;AMY205;SCHEMBL6673136;DTXSID40311829;MFCD00832257;NSC-245872;tetrahydropentalene-1,4(2H,5H)-dione;DS-003480

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2,3,3a,5,6,6a-hexahydropentalene-1,4-dione Basic Attributes

Molecular Weight：

138.16 g/mol

Exact Mass：

138.068079557 g/mol

NSC Number：

245872

DSSTox ID：

DTXSID40311829

Characteristics

PSA：

34.1 Å²

Safety Information

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:138.16
XLogP3:-0.1
Hydrogen Bond Acceptor Count:2
Exact Mass:138.068079557
Monoisotopic Mass:138.068079557
Topological Polar Surface Area:34.1
Heavy Atom Count:10
Complexity:173
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: montelukast dose; dabco; pyrazine; nitrogen trioxide; amphotericin b yellow powder; 2 pentanol

Guide of 2,3,3a,5,6,6a-hexahydropentalene-1,4-dione

Basic Attributes
Characteristics
Safety Information
Computed Properties

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