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147362-43-4 | 2-Phenanthrenecarboxylic acid, 3,4,4a,9,10,10a-hexahydro-8-methoxy-1,4a-dimethyl-7-(1-methylethyl)- (9CI)
CAS No: 147362-43-4 Catalog No: AG001EU8 MDL No:
Product Description
Catalog Number:
AG001EU8
Chemical Name:
2-Phenanthrenecarboxylic acid, 3,4,4a,9,10,10a-hexahydro-8-methoxy-1,4a-dimethyl-7-(1-methylethyl)- (9CI)
CAS Number:
147362-43-4
Molecular Formula:
C21H28O3
Molecular Weight:
328.4452
IUPAC Name:
8-methoxy-1,4a-dimethyl-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthrene-2-carboxylic acid
InChI:
InChI=1S/C21H28O3/c1-12(2)14-6-9-18-16(19(14)24-5)7-8-17-13(3)15(20(22)23)10-11-21(17,18)4/h6,9,12,17H,7-8,10-11H2,1-5H3,(H,22,23)
InChI Key:
UAEUNTXALQHLMF-UHFFFAOYSA-N
SMILES:
COc1c2CCC3C(c2ccc1C(C)C)(C)CCC(=C3C)C(=O)O
NSC Number:
672174
Properties
Complexity:
535
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.204g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
328.452g/mol
Monoisotopic Mass:
328.204g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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