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73529-19-8 | 17H-Cyclopenta[a]phenanthren-17-one,15,16-dihydro-15-hydroxy-11-(hydroxymethyl)- (9CI)
CAS No: 73529-19-8 Catalog No: AG005D3Y MDL No:
Product Description
Catalog Number:
AG005D3Y
Chemical Name:
17H-Cyclopenta[a]phenanthren-17-one,15,16-dihydro-15-hydroxy-11-(hydroxymethyl)- (9CI)
CAS Number:
73529-19-8
Molecular Formula:
C18H14O3
Molecular Weight:
278.3020
IUPAC Name:
15-hydroxy-11-(hydroxymethyl)-15,16-dihydrocyclopenta[a]phenanthren-17-one
InChI:
InChI=1S/C18H14O3/c19-9-11-7-14-15(20)8-16(21)18(14)13-6-5-10-3-1-2-4-12(10)17(11)13/h1-7,16,19,21H,8-9H2
InChI Key:
PJEYCMFAQVKNPN-UHFFFAOYSA-N
SMILES:
OCc1cc2C(=O)CC(c2c2c1c1ccccc1cc2)O
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.094g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
278.307g/mol
Monoisotopic Mass:
278.094g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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