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138163-67-4 | 1(2H)-Naphthalenone, 3,4,4a,5,8,8a-hexahydro-4a,6,7-trimethyl-, trans- (9CI)
CAS No: 138163-67-4 Catalog No: AG00183B MDL No:
Product Description
Catalog Number:
AG00183B
Chemical Name:
1(2H)-Naphthalenone, 3,4,4a,5,8,8a-hexahydro-4a,6,7-trimethyl-, trans- (9CI)
CAS Number:
138163-67-4
Molecular Formula:
C13H20O
Molecular Weight:
192.2973
IUPAC Name:
(4aR,8aR)-4a,6,7-trimethyl-2,3,4,5,8,8a-hexahydronaphthalen-1-one
InChI:
InChI=1S/C13H20O/c1-9-7-11-12(14)5-4-6-13(11,3)8-10(9)2/h11H,4-8H2,1-3H3/t11-,13+/m0/s1
InChI Key:
JSADRPCAZONPCY-WCQYABFASA-N
SMILES:
CC1=C(C)C[C@@H]2[C@](C1)(C)CCCC2=O
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
192.151g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.302g/mol
Monoisotopic Mass:
192.151g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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