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1003-29-8

1003-29-8 | 1H-Pyrrole-2-carbaldehyde

CAS No: 1003-29-8 Catalog No: AG0001HK MDL No:MFCD00005217

Product Description

Catalog Number:
AG0001HK
Chemical Name:
1H-Pyrrole-2-carbaldehyde
CAS Number:
1003-29-8
Molecular Formula:
C5H5NO
Molecular Weight:
95.0993
MDL Number:
MFCD00005217
IUPAC Name:
1H-pyrrole-2-carbaldehyde
InChI:
InChI=1S/C5H5NO/c7-4-5-2-1-3-6-5/h1-4,6H
InChI Key:
ZSKGQVFRTSEPJT-UHFFFAOYSA-N
SMILES:
O=Cc1ccc[nH]1
EC Number:
213-705-5
UNII:
068TSM6S6P

Properties

Complexity:
72.5  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
95.037g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
95.101g/mol
Monoisotopic Mass:
95.037g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  

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