Name: Name:1-Phenanthrenecarboxylic acid,1,2,3,4,4a,9,10,10a-octahydro-6-hydroxy-1,4a-dimethyl-,(1S,4aS,10aR)-
Brand: Angene
SKU: AG00IAK2
Rating: 90 (10 reviews)

Catalog Number:

AG00IAK2

Chemical Name:

1-Phenanthrenecarboxylic acid,1,2,3,4,4a,9,10,10a-octahydro-6-hydroxy-1,4a-dimethyl-,(1S,4aS,10aR)-

CAS Number:

5947-49-9

Molecular Formula:

C17H22O3

Molecular Weight:

274.3548

MDL Number:

MFCD00074825

IUPAC Name:

(1S,4aS,10aR)-6-hydroxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid

InChI:

InChI=1S/C17H22O3/c1-16-8-3-9-17(2,15(19)20)14(16)7-5-11-4-6-12(18)10-13(11)16/h4,6,10,14,18H,3,5,7-9H2,1-2H3,(H,19,20)/t14-,16-,17+/m1/s1

InChI Key:

VJILEYKNALCDDV-OIISXLGYSA-N

SMILES:

Oc1ccc2c(c1)[C@@]1(C)CCC[C@]([C@@H]1CC2)(C)C(=O)O

EC Number:

227-706-3

UNII:

7K80G5Z96Y

Complexity:

407

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

274.157g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

274.36g/mol

Monoisotopic Mass:

274.157g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

57.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.1

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