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3-N-BOC-3-(3-NITROPHENYL)PROPIONICACID

3-N-BOC-3-(3-NITROPHENYL)PROPIONICACID structure

CAS No:
284492-22-4
Formula:
C14H18N2O6
Chemical Name:
3-N-BOC-3-(3-NITROPHENYL)PROPIONICACID
Synonyms:
Boc-3-AMino-3-(3-nitrophenyl)propionic acid;BOC-DL-3-AMINO-3-(3-NITRO-PHENYL)-PROPIONIC ACID;3-(Boc-aMino)-3-(3-nitrophenyl)propionic Acid;3-[(TERT-BUTOXYCARBONYL)AMINO]-3-(3-NITROPHENYL)PROPANOIC ACID;3-TERT-BUTOXYCARBONYLAMINO-3-(3-NITRO-PHENYL)-PROPIONIC ACID;3-N-BOC-3-(3-NITROPHENYL)PROPIONIC ACID;RARECHEM AK HT P253;3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(3-nitrophenyl)propanoic acid

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3-N-BOC-3-(3-NITROPHENYL)PROPIONICACID Basic Attributes

Molecular Weight：

310.3

Exact Mass：

310.11648630

DSSTox ID：

DTXSID30373557

HScode：

2924299090

Characteristics

PSA：

121.45000

XLogP3：

3.54940

Density：

1.288±0.06 g/cm3

Boiling Point：

483.9±45.0 °C(Predicted)

Flash Point：

246.5ºC

Refractive Index：

1.552

Vapor Pressure：

3.54E-10mmHg at 25°C

PKA：

4.17±0.10

Safety Information

hazard class code：

Marks：

Computed Properties

Molecular Weight:310.30
XLogP3:1.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:310.11648630
Monoisotopic Mass:310.11648630
Topological Polar Surface Area:121
Heavy Atom Count:22
Complexity:426
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-N-BOC-3-(3-NITROPHENYL)PROPIONICACID

Basic Attributes
Characteristics
Safety Information
Computed Properties

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