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50599-07-0 | 1-Cyclohexene-1-carboxaldehyde, 3-phenyl-
CAS No: 50599-07-0 Catalog No: AG006XCO MDL No:
Product Description
Catalog Number:
AG006XCO
Chemical Name:
1-Cyclohexene-1-carboxaldehyde, 3-phenyl-
CAS Number:
50599-07-0
Molecular Formula:
C13H14O
Molecular Weight:
186.2497
IUPAC Name:
3-phenylcyclohexene-1-carbaldehyde
InChI:
InChI=1S/C13H14O/c14-10-11-5-4-8-13(9-11)12-6-2-1-3-7-12/h1-3,6-7,9-10,13H,4-5,8H2
InChI Key:
UYOGNYCVMQFELB-UHFFFAOYSA-N
SMILES:
O=CC1=CC(CCC1)c1ccccc1
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.104g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.254g/mol
Monoisotopic Mass:
186.104g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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