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114924-37-7 | Cycloprop[f]indene-1a,2(1H)-dicarboxaldehyde, 3,4,5,5a,6,6a-hexahydro-5a,6-dihydroxy-4,4,6a-trimethyl-, [1aR-(1aα,5aα,6β,6aα)]- (9CI)
CAS No: 114924-37-7 Catalog No: AG000FFI MDL No:
Product Description
Catalog Number:
AG000FFI
Chemical Name:
Cycloprop[f]indene-1a,2(1H)-dicarboxaldehyde, 3,4,5,5a,6,6a-hexahydro-5a,6-dihydroxy-4,4,6a-trimethyl-, [1aR-(1aα,5aα,6β,6aα)]- (9CI)
CAS Number:
114924-37-7
Molecular Formula:
C15H20O4
Molecular Weight:
264.3169
IUPAC Name:
(1aR,2R,2aR,6aR)-2,2a-dihydroxy-1a,4,4-trimethyl-1,2,3,5-tetrahydrocyclopropa[f]indene-6,6a-dicarbaldehyde
InChI:
InChI=1S/C15H20O4/c1-12(2)4-9-10(5-16)14(8-17)7-13(14,3)11(18)15(9,19)6-12/h5,8,11,18-19H,4,6-7H2,1-3H3/t11-,13+,14+,15-/m1/s1
InChI Key:
YOHHEVRXKIVTMR-UQOMUDLDSA-N
SMILES:
O=CC1=C2CC(C[C@]2(O)[C@@H]([C@]2([C@]1(C=O)C2)C)O)(C)C
Properties
Complexity:
520
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
264.136g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
264.321g/mol
Monoisotopic Mass:
264.136g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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