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1,4-DIHYDRO-3,5-DIMETHYLBENZOICACID

1,4-DIHYDRO-3,5-DIMETHYLBENZOICACID structure

CAS No:
31673-46-8
Formula:
C9H12O2
Chemical Name:
1,4-DIHYDRO-3,5-DIMETHYLBENZOICACID
Synonyms:
1,4-DIHYDRO-3,5-DIMETHYLBENZOIC ACID;2,5-Cyclohexadiene-1-carboxylic acid, 3,5-dimethyl-

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1,4-DIHYDRO-3,5-DIMETHYLBENZOICACID Basic Attributes

Molecular Weight：

152.19

Exact Mass：

152.083729621

DSSTox ID：

DTXSID90547530

HScode：

2916209090

Characteristics

PSA：

37.30000

XLogP3：

1.98350

Density：

1.077±0.06 g/cm3

Melting Point：

107-109 °C

Boiling Point：

263.9±29.0 °C(Predicted)

Flash Point：

123.264ºC

Refractive Index：

1.512

PKA：

3.88±0.60

Computed Properties

Molecular Weight:152.19
XLogP3:1.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:152.083729621
Monoisotopic Mass:152.083729621
Topological Polar Surface Area:37.3
Heavy Atom Count:11
Complexity:218
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1,4-DIHYDRO-3,5-DIMETHYLBENZOICACID

Basic Attributes
Characteristics
Computed Properties

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