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TERT-BUTYLHYDROGENPHTHALATE

TERT-BUTYLHYDROGENPHTHALATE structure

CAS No:
33693-84-4
Formula:
C12H14O4
Chemical Name:
TERT-BUTYLHYDROGENPHTHALATE
Synonyms:
2-(TERT-BUTOXYCARBONYL)BENZOIC ACID;TERT-BUTYL HYDROGEN PHTHALATE;TIMTEC-BB SBB007635;Phthalic acid mono-tert-butyl ester;3-Butylphthalide Impurity 51

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TERT-BUTYLHYDROGENPHTHALATE Basic Attributes

Molecular Weight：

222.24

Exact Mass：

222.08920892 g/mol

UNII：

8390XKX0SQ

DSSTox ID：

DTXSID1047150

HScode：

2918990090

Characteristics

PSA：

63.60000

XLogP3：

2.34010

Density：

1.173g/cm3

Melting Point：

79-80°C

Boiling Point：

349.8ºC at 760mmHg

Flash Point：

131.8ºC

Water Solubility：

Insoluble in water.

Safety Information

hazard class code：

36/37/38

safety instructions：

26-36

Computed Properties

Molecular Weight:222.24
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:222.08920892
Monoisotopic Mass:222.08920892
Topological Polar Surface Area:63.6
Heavy Atom Count:16
Complexity:277
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of TERT-BUTYLHYDROGENPHTHALATE

Basic Attributes
Characteristics
Safety Information
Computed Properties

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