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2-ETHYNYL-BENZOICACID

2-ETHYNYL-BENZOICACID structure

CAS No:
33578-00-6
Formula:
C9H6O2
Chemical Name:
2-ETHYNYL-BENZOICACID
Synonyms:
RARECHEM AL BE 0922;2-ETHYNYL-BENZOIC ACID;Benzoic acid, 2-ethynyl- (9CI);o-Ethynylbenzoicacid;Benzoic acid, 2-ethynyl-;2-Eethynylbenzoic acid;2-Ethynylbenzoic acid 96+%;2-ETHYNYL-BENZOIC ACID ISO 9001：2015 REACH

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2-ETHYNYL-BENZOICACID Basic Attributes

Molecular Weight：

146.14

Exact Mass：

146.036779430

DSSTox ID：

DTXSID60506937

Characteristics

Density：

1.23±0.1 g/cm3

Melting Point：

121-123℃

Boiling Point：

282.1±23.0 °C(Predicted)

PKA：

3.45±0.36

Computed Properties

Molecular Weight:146.14
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:146.036779430
Monoisotopic Mass:146.036779430
Topological Polar Surface Area:37.3
Heavy Atom Count:11
Complexity:199
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-ETHYNYL-BENZOICACID

Basic Attributes
Characteristics
Computed Properties

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