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79384-86-4 | 4a(2H)-Phenanthrenecarboxaldehyde, 1,3,4,9,10,10a-hexahydro-, cis-
CAS No: 79384-86-4 Catalog No: AG0058VA MDL No:
Product Description
Catalog Number:
AG0058VA
Chemical Name:
4a(2H)-Phenanthrenecarboxaldehyde, 1,3,4,9,10,10a-hexahydro-, cis-
CAS Number:
79384-86-4
Molecular Formula:
C15H18O
Molecular Weight:
214.3028
IUPAC Name:
(4aR,10aS)-2,3,4,9,10,10a-hexahydro-1H-phenanthrene-4a-carbaldehyde
InChI:
InChI=1S/C15H18O/c16-11-15-10-4-3-6-13(15)9-8-12-5-1-2-7-14(12)15/h1-2,5,7,11,13H,3-4,6,8-10H2/t13-,15+/m0/s1
InChI Key:
ZEVFYVUMFDZGPR-DZGCQCFKSA-N
SMILES:
O=C[C@]12CCCC[C@H]1CCc1c2cccc1
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
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:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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