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88307-49-7 | 1H-Indene-3a,7a-dimethanol, 2,3,4,7-tetrahydro-5,6-dimethyl-
CAS No: 88307-49-7 Catalog No: AG0048OM MDL No:
Product Description
Catalog Number:
AG0048OM
Chemical Name:
1H-Indene-3a,7a-dimethanol, 2,3,4,7-tetrahydro-5,6-dimethyl-
CAS Number:
88307-49-7
Molecular Formula:
C13H22O2
Molecular Weight:
210.3126
IUPAC Name:
[7a-(hydroxymethyl)-5,6-dimethyl-2,3,4,7-tetrahydro-1H-inden-3a-yl]methanol
InChI:
InChI=1S/C13H22O2/c1-10-6-12(8-14)4-3-5-13(12,9-15)7-11(10)2/h14-15H,3-9H2,1-2H3
InChI Key:
IFAVBMSUIDPYQJ-UHFFFAOYSA-N
SMILES:
OCC12CCCC2(CO)CC(=C(C1)C)C
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.162g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
210.317g/mol
Monoisotopic Mass:
210.162g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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