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90563-57-8 | 5-Indolinecarbaldehyde
CAS No: 90563-57-8 Catalog No: AG0036YA MDL No:MFCD01075042
Product Description
Catalog Number:
AG0036YA
Chemical Name:
5-Indolinecarbaldehyde
CAS Number:
90563-57-8
Molecular Formula:
C9H9NO
Molecular Weight:
147.1739
MDL Number:
MFCD01075042
IUPAC Name:
2,3-dihydro-1H-indole-5-carbaldehyde
InChI:
InChI=1S/C9H9NO/c11-6-7-1-2-9-8(5-7)3-4-10-9/h1-2,5-6,10H,3-4H2
InChI Key:
SUAXWOZVUOMRER-UHFFFAOYSA-N
SMILES:
O=Cc1ccc2c(c1)CCN2
Properties
Complexity:
158
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:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
147.177g/mol
Monoisotopic Mass:
147.068g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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