CS-0560669

1-(2-Cyanobenzyl)-1H-pyrrole-3-carboxylic acid

Manufacturer: ChemScene

CAS Number: 1507930-59-7

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Purity

98%

MDL No

None

Storage

Sealed in dry,2-8℃

Shipping

Room temperature in continental US; may vary elsewhere.

Molecular Formula

C₁₃H₁₀N₂O₂

Molecular Weight

226.23

Synonyms

1-[(2-cyanophenyl)methyl]-1h-pyrrole-3-carboxylic acid

SMILES

C1=CC=C(C(=C1)CN2C=CC(=C2)C(=O)O)C#N

Tpsa

66.02

Logp

2.10628

H Acceptors

3

H Donors

1

Rotatable Bonds

3

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SAFETY INFORMATION

Pictograms

GHS07

Signal Word

Warning

UN Number

N/A

Class

N/A

Packing Group

N/A

Hazard Statements

H302-H315-H319-H335

Precautionary Statements

P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Compare Similar Items

Show Difference

Img

ChemScene

CS-0560669

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Purity:
98%

MDL No:
None

Storage:
Sealed in dry,2-8℃

Shipping:
Room temperature in continental US; may vary elsewhere.

Molecular Formula:
C₁₃H₁₀N₂O₂

Molecular Weight:
226.23

Synonyms:
1-[(2-cyanophenyl)methyl]-1h-pyrrole-3-carboxylic acid

SMILES:
C1=CC=C(C(=C1)CN2C=CC(=C2)C(=O)O)C#N

Tpsa:
66.02

Logp:
2.10628

H Acceptors:
3

H Donors:
1

Rotatable Bonds:
3

Img

ChemScene

CS-0560670

--


Purity:
98%

MDL No:
None

Storage:
Sealed in dry,2-8℃

Shipping:
Room temperature in continental US; may vary elsewhere.

Molecular Formula:
C₁₂H₁₆N₂O₃

Molecular Weight:
236.27

Synonyms:
None

SMILES:
C1CCN(CC1)C(=O)CN2C=CC(=C2)C(=O)O

Tpsa:
62.54

Logp:
1.1988

H Acceptors:
3

H Donors:
1

Rotatable Bonds:
3

Img

ChemScene

CS-0560671

--


Purity:
98%

MDL No:
None

Storage:
Sealed in dry,2-8℃

Shipping:
Room temperature in continental US; may vary elsewhere.

Molecular Formula:
C₁₁H₁₅N₃O₃

Molecular Weight:
237.26

Synonyms:
None

SMILES:
C1CN(CCC1CC(=O)O)C(=O)C2=CNN=C2

Tpsa:
86.29

Logp:
0.7366

H Acceptors:
3

H Donors:
2

Rotatable Bonds:
3

Img

ChemScene

CS-0560672

--


Purity:
98%

MDL No:
None

Storage:
Sealed in dry,2-8℃

Shipping:
Room temperature in continental US; may vary elsewhere.

Molecular Formula:
C₁₂H₁₆N₂O

Molecular Weight:
204.27

Synonyms:
None

SMILES:
CC(C)C(CN)C1=NC2=CC=CC=C2O1

Tpsa:
52.05

Logp:
2.5261

H Acceptors:
3

H Donors:
1

Rotatable Bonds:
3