Home Carboxys 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, (1R,4aS,10aR)-

1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, (1R,4aS,10aR)-

CAS No.:
1740-19-8
Catalog Number:
AG001ZD9
Molecular Formula:
C20H28O2
Molecular Weight:
300.4351
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
~70%
In Stock USA
United States
$39
- +
5g
~70%
In Stock USA
United States
$61
- +
25g
~70%
In Stock USA
United States
$143
- +
100g
~70%
In Stock USA
United States
$350
- +
Product Description
Catalog Number:
AG001ZD9
Chemical Name:
1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, (1R,4aS,10aR)-
CAS Number:
1740-19-8
Molecular Formula:
C20H28O2
Molecular Weight:
300.4351
MDL Number:
MFCD09839012
IUPAC Name:
(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
InChI:
InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1
InChI Key:
NFWKVWVWBFBAOV-MISYRCLQSA-N
SMILES:
OC(=O)[C@]1(C)CCC[C@]2([C@H]1CCc1c2ccc(c1)C(C)C)C
EC Number:
217-102-8
UNII:
0S5XP6S3AU
NSC Number:
2952
Properties
Complexity:
443  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
300.209g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
300.442g/mol
Monoisotopic Mass:
300.209g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6  
Literature
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Properties