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156245-57-7

156245-57-7 | 1H-Pyrrole-2-carboxaldehyde, 4-(1,1-dimethylethyl)- (9CI)

CAS No: 156245-57-7 Catalog No: AG00ATHM MDL No:

Product Description

Catalog Number:
AG00ATHM
Chemical Name:
1H-Pyrrole-2-carboxaldehyde, 4-(1,1-dimethylethyl)- (9CI)
CAS Number:
156245-57-7
IUPAC Name:
4-tert-butyl-1H-pyrrole-2-carbaldehyde
InChI:
InChI=1S/C9H13NO/c1-9(2,3)7-4-8(6-11)10-5-7/h4-6,10H,1-3H3
InChI Key:
NRTNYQGLBBFPSC-UHFFFAOYSA-N

Properties

Complexity:
148  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.1g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
151.209g/mol
Monoisotopic Mass:
151.1g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  

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