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83474-53-7 | (1R)-2,3,4,4aα,8,8aβ-Hexahydro-6-hydroxymethyl-4α-isopropylspiro[naphthalene-1(7H),2'-oxiran]-7-one
CAS No: 83474-53-7 Catalog No: AG00GK1W MDL No:
Product Description
Catalog Number:
AG00GK1W
Chemical Name:
(1R)-2,3,4,4aα,8,8aβ-Hexahydro-6-hydroxymethyl-4α-isopropylspiro[naphthalene-1(7H),2'-oxiran]-7-one
CAS Number:
83474-53-7
IUPAC Name:
(4aS,5R,8R,8aS)-3-(hydroxymethyl)-5-propan-2-ylspiro[1,4a,5,6,7,8a-hexahydronaphthalene-8,2'-oxirane]-2-one
InChI:
InChI=1S/C15H22O3/c1-9(2)11-3-4-15(8-18-15)13-6-14(17)10(7-16)5-12(11)13/h5,9,11-13,16H,3-4,6-8H2,1-2H3/t11-,12-,13+,15+/m1/s1
InChI Key:
IOSQWDUJWRSEER-CXTNEJHOSA-N
Properties
Complexity:
399
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
250.157g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.338g/mol
Monoisotopic Mass:
250.157g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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