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71602-41-0 | 1H-Azepine-1-carboxaldehyde, hexahydro-2-phenyl-
CAS No: 71602-41-0 Catalog No: AG0064T6 MDL No:
Product Description
Catalog Number:
AG0064T6
Chemical Name:
1H-Azepine-1-carboxaldehyde, hexahydro-2-phenyl-
CAS Number:
71602-41-0
Molecular Formula:
C13H17NO
Molecular Weight:
203.2802
IUPAC Name:
2-phenylazepane-1-carbaldehyde
InChI:
InChI=1S/C13H17NO/c15-11-14-10-6-2-5-9-13(14)12-7-3-1-4-8-12/h1,3-4,7-8,11,13H,2,5-6,9-10H2
InChI Key:
HUIYGUCNCWYBNY-UHFFFAOYSA-N
SMILES:
O=CN1CCCCCC1c1ccccc1
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.131g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.285g/mol
Monoisotopic Mass:
203.131g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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