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109957-63-3 | Cycloprop[e]indene-1a,2(1H)-dicarboxaldehyde,3a,4,5,6,6a,6b-hexahydro-3a-hydroxy-5,5,6b-trimethyl-, [1aR-(1aa,3aa,6aa,6ba)]- (9CI)
CAS No: 109957-63-3 Catalog No: AG007EEO MDL No:
Product Description
Catalog Number:
AG007EEO
Chemical Name:
Cycloprop[e]indene-1a,2(1H)-dicarboxaldehyde,3a,4,5,6,6a,6b-hexahydro-3a-hydroxy-5,5,6b-trimethyl-, [1aR-(1aa,3aa,6aa,6ba)]- (9CI)
CAS Number:
109957-63-3
Molecular Formula:
C15H20O3
Molecular Weight:
248.3175
IUPAC Name:
(1aR,3aR,6aR,6bS)-3a-hydroxy-5,5,6b-trimethyl-1,4,6,6a-tetrahydrocyclopropa[e]indene-1a,2-dicarbaldehyde
InChI:
InChI=1S/C15H20O3/c1-12(2)5-11-13(3)8-14(13,9-17)10(6-16)4-15(11,18)7-12/h4,6,9,11,18H,5,7-8H2,1-3H3/t11-,13+,14+,15+/m1/s1
InChI Key:
XJHRNHWYRIVNAL-UNQGMJICSA-N
SMILES:
O=CC1=C[C@]2(O)CC(C[C@@H]2[C@]2([C@]1(C=O)C2)C)(C)C
Properties
Complexity:
478
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
248.141g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.322g/mol
Monoisotopic Mass:
248.141g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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