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70424-08-7 | 2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-6-hydroxy-4a,5-dimethyl-3-(1-methylethenyl)-, (3R,4aR,5R,6R)-
CAS No: 70424-08-7 Catalog No: AG005IYE MDL No:
Product Description
Catalog Number:
AG005IYE
Chemical Name:
2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-6-hydroxy-4a,5-dimethyl-3-(1-methylethenyl)-, (3R,4aR,5R,6R)-
CAS Number:
70424-08-7
Molecular Formula:
C15H22O2
Molecular Weight:
234.3340
IUPAC Name:
(3R,4aR,5R,6R)-6-hydroxy-4a,5-dimethyl-3-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one
InChI:
InChI=1S/C15H22O2/c1-9(2)12-8-15(4)10(3)13(16)6-5-11(15)7-14(12)17/h7,10,12-13,16H,1,5-6,8H2,2-4H3/t10-,12+,13+,15+/m0/s1
InChI Key:
AJFPOVBARCSOLH-XTWPYSKKSA-N
SMILES:
CC(=C)[C@H]1C[C@@]2(C)C(=CC1=O)CC[C@H]([C@@H]2C)O
UNII:
1V2V14PS8N
Properties
Complexity:
394
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
234.162g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.339g/mol
Monoisotopic Mass:
234.162g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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