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Home > Other Heterocycles > 17575-82-5
17575-82-5 | Spiro[1H-2-benzopyran-4(3H),1'-cyclohexane] (9CI)
CAS No: 17575-82-5 Catalog No: AG00215Z MDL No:
Product Description
Catalog Number:
AG00215Z
Chemical Name:
Spiro[1H-2-benzopyran-4(3H),1'-cyclohexane] (9CI)
CAS Number:
17575-82-5
Molecular Formula:
C14H18O
Molecular Weight:
202.2921
IUPAC Name:
spiro[1,3-dihydroisochromene-4,1'-cyclohexane]
InChI:
InChI=1S/C14H18O/c1-4-8-14(9-5-1)11-15-10-12-6-2-3-7-13(12)14/h2-3,6-7H,1,4-5,8-11H2
InChI Key:
QTOALNRVJOWYBI-UHFFFAOYSA-N
SMILES:
C1CCC2(CC1)COCc1c2cccc1
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.136g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.297g/mol
Monoisotopic Mass:
202.136g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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