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10070-65-2 | Naphtho[2,3-b]furan-2(3H)-one, 3aα,4,4a,5,6,7,8,8a,9,9aα-decahydro-4aα-hydroxy-8aβ-methyl-5-methylene- (8CI)
CAS No: 10070-65-2 Catalog No: AG0002O8 MDL No:
Product Description
Catalog Number:
AG0002O8
Chemical Name:
Naphtho[2,3-b]furan-2(3H)-one, 3aα,4,4a,5,6,7,8,8a,9,9aα-decahydro-4aα-hydroxy-8aβ-methyl-5-methylene- (8CI)
CAS Number:
10070-65-2
Molecular Formula:
C14H20O3
Molecular Weight:
236.3068
IUPAC Name:
4a-hydroxy-8a-methyl-5-methylidene-3,3a,4,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one
InChI:
InChI=1S/C14H20O3/c1-9-4-3-5-13(2)8-11-10(6-12(15)17-11)7-14(9,13)16/h10-11,16H,1,3-8H2,2H3
InChI Key:
HASWHTQCJRDYDY-UHFFFAOYSA-N
SMILES:
O=C1OC2C(C1)CC1(C(C2)(C)CCCC1=C)O
NSC Number:
127538
Properties
Complexity:
389
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.141g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.311g/mol
Monoisotopic Mass:
236.141g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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