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24401-39-6 | Benzeneacetaldehyde, a-methyl-a-2-propen-1-yl-
CAS No: 24401-39-6 Catalog No: AG006VA5 MDL No:
Product Description
Catalog Number:
AG006VA5
Chemical Name:
Benzeneacetaldehyde, a-methyl-a-2-propen-1-yl-
CAS Number:
24401-39-6
Molecular Formula:
C12H14O
Molecular Weight:
174.2390
IUPAC Name:
2-methyl-2-phenylpent-4-enal
InChI:
InChI=1S/C12H14O/c1-3-9-12(2,10-13)11-7-5-4-6-8-11/h3-8,10H,1,9H2,2H3
InChI Key:
OORUKFHUHFCMAP-UHFFFAOYSA-N
SMILES:
O=CC(c1ccccc1)(CC=C)C
EC Number:
246-226-5
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.104g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.243g/mol
Monoisotopic Mass:
174.104g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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