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Home > Aldehydes > 201021-74-1
201021-74-1 | 2-Cyclohexene-1-acetaldehyde, 1-(phenylmethyl)-
CAS No: 201021-74-1 Catalog No: AG002D5I MDL No:
Product Description
Catalog Number:
AG002D5I
Chemical Name:
2-Cyclohexene-1-acetaldehyde, 1-(phenylmethyl)-
CAS Number:
201021-74-1
Molecular Formula:
C15H18O
Molecular Weight:
214.3028
IUPAC Name:
2-(1-benzylcyclohex-2-en-1-yl)acetaldehyde
InChI:
InChI=1S/C15H18O/c16-12-11-15(9-5-2-6-10-15)13-14-7-3-1-4-8-14/h1,3-5,7-9,12H,2,6,10-11,13H2
InChI Key:
MCEJONFDMBMHIS-UHFFFAOYSA-N
SMILES:
O=CCC1(CCCC=C1)Cc1ccccc1
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.136g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.308g/mol
Monoisotopic Mass:
214.136g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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