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2-Cyano-4,4-dimethyl-pent-2-enoicacid

2-Cyano-4,4-dimethyl-pent-2-enoicacid structure

CAS No:
88319-37-3
Formula:
C8H11NO2
Chemical Name:
2-Cyano-4,4-dimethyl-pent-2-enoicacid
Synonyms:
2-Cyano-4,4-dimethyl-pent-2-enoic acid;2-Cyano-4,4-dimethyl-2-pentenoic acid;2-Pentenoic acid, 2-cyano-4,4-dimethyl-

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2-Cyano-4,4-dimethyl-pent-2-enoicacid Basic Attributes

Molecular Weight：

153.18

Exact Mass：

153.078978594

DSSTox ID：

DTXSID60828904

Characteristics

Density：

1.078±0.06 g/cm3

Melting Point：

123.5-125 °C (decomp)

Boiling Point：

287.4±23.0 °C(Predicted)

PKA：

1.80±0.19

Computed Properties

Molecular Weight:153.18
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:153.078978594
Monoisotopic Mass:153.078978594
Topological Polar Surface Area:61.1
Heavy Atom Count:11
Complexity:237
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-Cyano-4,4-dimethyl-pent-2-enoicacid

Basic Attributes
Characteristics
Computed Properties

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