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3-(4-NITROPHENYL)ADAMANTANE-1-CARBOXYLICACID

3-(4-NITROPHENYL)ADAMANTANE-1-CARBOXYLICACID structure

CAS No:
7123-76-4
Formula:
C17H19NO4
Chemical Name:
3-(4-NITROPHENYL)ADAMANTANE-1-CARBOXYLICACID
Synonyms:
AKOS BC-0512;IFLAB-BB F0348-2280;3-(4-NITROPHENYL)ADAMANTAN-1-CARBOXYLIC ACID;3-(4-NITROPHENYL)-1-ADAMANTANECARBOXYLIC ACID;3-(4-NITROPHENYL)ADAMANTANE-1-CARBOXYLIC ACID;1-(p-Nitrophenyl)-3-adamantanecarboxylic acid;tricyclo[3.3.1.1~3,7~]decane-1-carboxylic acid, 3-(4-nitro

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3-(4-NITROPHENYL)ADAMANTANE-1-CARBOXYLICACID Basic Attributes

Molecular Weight：

301.33700

Exact Mass：

301.13100

DSSTox ID：

DTXSID90372046

HScode：

2916399090

Characteristics

PSA：

83.12000

XLogP3：

4.04060

Density：

1.387g/cm3

Melting Point：

197ºC

Boiling Point：

481.4ºC at 760 mmHg

Flash Point：

198.4ºC

Refractive Index：

1.648

Safety Information

hazard class code：

R36/37/38

safety instructions：

S26-S37/39

Marks：

Computed Properties

Molecular Weight:301.34
XLogP3:3.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:301.13140809
Monoisotopic Mass:301.13140809
Topological Polar Surface Area:83.1
Heavy Atom Count:22
Complexity:489
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-(4-NITROPHENYL)ADAMANTANE-1-CARBOXYLICACID

Basic Attributes
Characteristics
Safety Information
Computed Properties

3-(4-NITROPHENYL)ADAMANTANE-1-CARBOXYLICACID

SDS

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