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831-97-0 | 4-Isopropyl-alpha-methylcinnamaldehyde
CAS No: 831-97-0 Catalog No: AG004VLF MDL No:
Product Description
Catalog Number:
AG004VLF
Chemical Name:
4-Isopropyl-alpha-methylcinnamaldehyde
CAS Number:
831-97-0
Molecular Formula:
C13H16O
Molecular Weight:
188.2655
IUPAC Name:
2-methyl-3-(4-propan-2-ylphenyl)prop-2-enal
InChI:
InChI=1S/C13H16O/c1-10(2)13-6-4-12(5-7-13)8-11(3)9-14/h4-10H,1-3H3
InChI Key:
YCAMGBSPHGCQDC-UHFFFAOYSA-N
SMILES:
O=CC(=Cc1ccc(cc1)C(C)C)C
EC Number:
212-613-2
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.12g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.27g/mol
Monoisotopic Mass:
188.12g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.3
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