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37939-90-5 | 1H-Indene-1-acetaldehyde
CAS No: 37939-90-5 Catalog No: AG00778W MDL No:
Product Description
Catalog Number:
AG00778W
Chemical Name:
1H-Indene-1-acetaldehyde
CAS Number:
37939-90-5
Molecular Formula:
C11H10O
Molecular Weight:
158.1965
IUPAC Name:
2-(1H-inden-1-yl)acetaldehyde
InChI:
InChI=1S/C11H10O/c12-8-7-10-6-5-9-3-1-2-4-11(9)10/h1-6,8,10H,7H2
InChI Key:
FZBNMMPQKBSNCY-UHFFFAOYSA-N
SMILES:
O=CCC1C=Cc2c1cccc2
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.073g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
158.2g/mol
Monoisotopic Mass:
158.073g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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