Home Aldehydes 2H-Isoindole-2-carboxaldehyde, 1,3-dihydro- (9CI)

2H-Isoindole-2-carboxaldehyde, 1,3-dihydro- (9CI)

CAS No.:
35180-21-3
Catalog Number:
AG00CXHP
Molecular Formula:
C9H9NO
Molecular Weight:
147.1739
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Product Description
Catalog Number:
AG00CXHP
Chemical Name:
2H-Isoindole-2-carboxaldehyde, 1,3-dihydro- (9CI)
CAS Number:
35180-21-3
Molecular Formula:
C9H9NO
Molecular Weight:
147.1739
MDL Number:
MFCD18450001
IUPAC Name:
1,3-dihydroisoindole-2-carbaldehyde
InChI:
InChI=1S/C9H9NO/c11-7-10-5-8-3-1-2-4-9(8)6-10/h1-4,7H,5-6H2
InChI Key:
YGKOJGIYEHULCD-UHFFFAOYSA-N
SMILES:
O=CN1Cc2c(C1)cccc2
Properties
Complexity:
144  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.068g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
147.177g/mol
Monoisotopic Mass:
147.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties