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Home > Aldehydes > 113388-96-8
113388-96-8 | 1-Cycloheptene-1-carboxaldehyde, 2-phenyl-
CAS No: 113388-96-8 Catalog No: AG0008EQ MDL No:
Product Description
Catalog Number:
AG0008EQ
Chemical Name:
1-Cycloheptene-1-carboxaldehyde, 2-phenyl-
CAS Number:
113388-96-8
Molecular Formula:
C14H16O
Molecular Weight:
200.2762
IUPAC Name:
2-phenylcycloheptene-1-carbaldehyde
InChI:
InChI=1S/C14H16O/c15-11-13-9-5-2-6-10-14(13)12-7-3-1-4-8-12/h1,3-4,7-8,11H,2,5-6,9-10H2
InChI Key:
SEZGMDCSVROIDG-UHFFFAOYSA-N
SMILES:
O=CC1=C(CCCCC1)c1ccccc1
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.12g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.281g/mol
Monoisotopic Mass:
200.12g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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