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1074-86-8 | Indole-4-carboxaldehyde
CAS No: 1074-86-8 Catalog No: AG00380I MDL No:MFCD01632221
Product Description
Catalog Number:
AG00380I
Chemical Name:
Indole-4-carboxaldehyde
CAS Number:
1074-86-8
Molecular Formula:
C9H7NO
Molecular Weight:
145.1580
MDL Number:
MFCD01632221
IUPAC Name:
1H-indole-4-carbaldehyde
InChI:
InChI=1S/C9H7NO/c11-6-7-2-1-3-9-8(7)4-5-10-9/h1-6,10H
InChI Key:
JFDDFGLNZWNJTK-UHFFFAOYSA-N
SMILES:
O=Cc1cccc2c1cc[nH]2
NSC Number:
337264
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
145.053g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
145.161g/mol
Monoisotopic Mass:
145.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| One-pot synthesis of 2-substituted indoles from 2-aminobenzyl phosphonium salts. A formal total synthesis of arcyriacyanin A. | Organic letters 20080717 |
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