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1177835-40-3 | 4'-tert-Butyl-7-hydroxyspiro[chromene-2,1'-cyclohexan]-4(3H)-one
CAS No: 1177835-40-3 Catalog No: AG00HE8Y MDL No:MFCD10007612
Product Description
Catalog Number:
AG00HE8Y
Chemical Name:
4'-tert-Butyl-7-hydroxyspiro[chromene-2,1'-cyclohexan]-4(3H)-one
CAS Number:
1177835-40-3
Molecular Formula:
C18H24O3
Molecular Weight:
288.3814
MDL Number:
MFCD10007612
IUPAC Name:
4'-tert-butyl-7-hydroxyspiro[3H-chromene-2,1'-cyclohexane]-4-one
InChI:
InChI=1S/C18H24O3/c1-17(2,3)12-6-8-18(9-7-12)11-15(20)14-5-4-13(19)10-16(14)21-18/h4-5,10,12,19H,6-9,11H2,1-3H3
InChI Key:
PGBWLTVDGGWTEE-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)OC1(CC2=O)CCC(CC1)C(C)(C)C
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.173g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
288.387g/mol
Monoisotopic Mass:
288.173g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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