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114624-39-4 | 6H-Dibenzo[b,d]pyran-3-ol, 6a,7,10,10a-tetrahydro-1,6,6,9-tetramethyl-, (6aR-trans)- (9CI)
CAS No: 114624-39-4 Catalog No: AG000EUH MDL No:
Product Description
Catalog Number:
AG000EUH
Chemical Name:
6H-Dibenzo[b,d]pyran-3-ol, 6a,7,10,10a-tetrahydro-1,6,6,9-tetramethyl-, (6aR-trans)- (9CI)
CAS Number:
114624-39-4
Molecular Formula:
C17H22O2
Molecular Weight:
258.3554
IUPAC Name:
(6aR,10aR)-1,6,6,9-tetramethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-3-ol
InChI:
InChI=1S/C17H22O2/c1-10-5-6-14-13(7-10)16-11(2)8-12(18)9-15(16)19-17(14,3)4/h5,8-9,13-14,18H,6-7H2,1-4H3/t13-,14-/m1/s1
InChI Key:
XAYRLUBHJAOWEN-ZIAGYGMSSA-N
SMILES:
CC1=CC[C@@H]2[C@@H](C1)c1c(C)cc(cc1OC2(C)C)O
Properties
Complexity:
385
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
258.162g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
258.361g/mol
Monoisotopic Mass:
258.162g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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