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88730-27-2 | 1H-Indole-5-acetaldehyde
CAS No: 88730-27-2 Catalog No: AG00452Q MDL No:
Product Description
Catalog Number:
AG00452Q
Chemical Name:
1H-Indole-5-acetaldehyde
CAS Number:
88730-27-2
Molecular Formula:
C10H9NO
Molecular Weight:
159.1846
IUPAC Name:
2-(1H-indol-5-yl)acetaldehyde
InChI:
InChI=1S/C10H9NO/c12-6-4-8-1-2-10-9(7-8)3-5-11-10/h1-3,5-7,11H,4H2
InChI Key:
ZNSNIDUXAIIESZ-UHFFFAOYSA-N
SMILES:
O=CCc1ccc2c(c1)cc[nH]2
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.068g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
159.188g/mol
Monoisotopic Mass:
159.068g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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