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30186-48-2

30186-48-2 | 1-BENZYLPYRROLE-3-CARBOXALDEHYDE

CAS No: 30186-48-2 Catalog No: AG00BM0V MDL No:MFCD11100826

Product Description

Catalog Number:
AG00BM0V
Chemical Name:
1-BENZYLPYRROLE-3-CARBOXALDEHYDE
CAS Number:
30186-48-2
Molecular Formula:
C12H11NO
Molecular Weight:
185.2218
MDL Number:
MFCD11100826
IUPAC Name:
1-benzylpyrrole-3-carbaldehyde
InChI:
InChI=1S/C12H11NO/c14-10-12-6-7-13(9-12)8-11-4-2-1-3-5-11/h1-7,9-10H,8H2
InChI Key:
VVUVCKSHUSFLOE-UHFFFAOYSA-N
SMILES:
O=Cc1ccn(c1)Cc1ccccc1

Properties

Complexity:
187  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.084g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.226g/mol
Monoisotopic Mass:
185.084g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
22A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  

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