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2-ethynyl-5-methoxycyclohexa-2,5-diene-1,4-dione

2-ethynyl-5-methoxycyclohexa-2,5-diene-1,4-dione structure

CAS No:
82511-23-7
Formula:
C9H6O3
Chemical Name:
2-ethynyl-5-methoxycyclohexa-2,5-diene-1,4-dione
Synonyms:
2-Ethynyl-5-methoxybenzo-1,4-quinone;82511-23-7;NSC377174;UNII-YNS772IK61;YNS772IK61;NSC 377174;CHEMBL1967214;DTXSID20231819;ZINC1590343;2-ethynyl-5-methoxy-1,4-benzoquinone;NSC-377174;NCI60_003554

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2-ethynyl-5-methoxycyclohexa-2,5-diene-1,4-dione Basic Attributes

Molecular Weight：

162.14 g/mol

Exact Mass：

162.031694049 g/mol

UNII：

YNS772IK61

NSC Number：

377174

DSSTox ID：

DTXSID20231819

Characteristics

PSA：

43.4 Å²

Computed Properties

Molecular Weight:162.14
XLogP3:0.5
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:162.031694049
Monoisotopic Mass:162.031694049
Topological Polar Surface Area:43.4
Heavy Atom Count:12
Complexity:349
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: 2 2 3-dimethylpentane; ceria; acid name of hi; ferrous oxide; quinone; phosphate aluminum

Guide of 2-ethynyl-5-methoxycyclohexa-2,5-diene-1,4-dione

Basic Attributes
Characteristics
Computed Properties

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