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114260-59-2 | 10(7H)-Acephenanthrylenone, 4,5,8,9-tetrahydro-
CAS No: 114260-59-2 Catalog No: AG000AX8 MDL No:
Product Description
Catalog Number:
AG000AX8
Chemical Name:
10(7H)-Acephenanthrylenone, 4,5,8,9-tetrahydro-
CAS Number:
114260-59-2
Molecular Formula:
C16H14O
Molecular Weight:
222.2818
IUPAC Name:
5,7,8,9-tetrahydro-4H-acephenanthrylen-10-one
InChI:
InChI=1S/C16H14O/c17-14-6-2-4-11-9-12-8-7-10-3-1-5-13(15(10)12)16(11)14/h1,3,5,9H,2,4,6-8H2
InChI Key:
OGBBEJLGGOBAIN-UHFFFAOYSA-N
SMILES:
O=C1CCCc2c1c1cccc3c1c(c2)CC3
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.104g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.287g/mol
Monoisotopic Mass:
222.104g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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