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2-Cyanoaceticacid1-(diphenylmethyl)-3-azetidinylester

2-Cyanoaceticacid1-(diphenylmethyl)-3-azetidinylester structure

CAS No:
116574-14-2
Formula:
C19H18N2O2
Chemical Name:
2-Cyanoaceticacid1-(diphenylmethyl)-3-azetidinylester
Synonyms:
2-CYANOACETIC ACID 1-(DIPHENYLMETHYL)-3-AZETIDINYL ESTER;Cyanoacetic acid 1-(diphenylmethyl)-3-azetidinyl ester;2-cyano-2-[1-(diphenylMethyl)azetidin-3-yl]acetic acid;1-Benzydryl-3-azetidinyl cyanoacetate;1-Benzhydrylazetidin-3-ylcyanoacetate;Acetic acid, 2-cyano-,1-(diphenylMethyl)-3-azetidinyl ester

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2-Cyanoaceticacid1-(diphenylmethyl)-3-azetidinylester Basic Attributes

Molecular Weight：

306.36

Exact Mass：

306.136827821

EC Number：

1312995-182-4

DSSTox ID：

DTXSID40433535

Characteristics

Density：

1.22

Boiling Point：

446.4±45.0 °C(Predicted)

PKA：

1.83±0.10

Computed Properties

Molecular Weight:306.4
XLogP3:3.1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:306.136827821
Monoisotopic Mass:306.136827821
Topological Polar Surface Area:53.3
Heavy Atom Count:23
Complexity:420
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-Cyanoaceticacid1-(diphenylmethyl)-3-azetidinylester

Basic Attributes
Characteristics
Computed Properties

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