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Home > Aldehydes > 828913-53-7
828913-53-7 | Benzeneacetaldehyde, 2-(1-propynyl)-
CAS No: 828913-53-7 Catalog No: AG004WEZ MDL No:
Product Description
Catalog Number:
AG004WEZ
Chemical Name:
Benzeneacetaldehyde, 2-(1-propynyl)-
CAS Number:
828913-53-7
Molecular Formula:
C11H10O
Molecular Weight:
158.1965
IUPAC Name:
2-(2-prop-1-ynylphenyl)acetaldehyde
InChI:
InChI=1S/C11H10O/c1-2-5-10-6-3-4-7-11(10)8-9-12/h3-4,6-7,9H,8H2,1H3
InChI Key:
SASDWQLJOJNUMQ-UHFFFAOYSA-N
SMILES:
O=CCc1ccccc1C#CC
Properties
Complexity:
206
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:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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