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88536-92-9 | 5H-Inden-5-one, octahydro-1-(hydroxymethyl)-7a-methyl-
CAS No: 88536-92-9 Catalog No: AG00456I MDL No:
Product Description
Catalog Number:
AG00456I
Chemical Name:
5H-Inden-5-one, octahydro-1-(hydroxymethyl)-7a-methyl-
CAS Number:
88536-92-9
Molecular Formula:
C11H18O2
Molecular Weight:
182.2594
IUPAC Name:
1-(hydroxymethyl)-7a-methyl-2,3,3a,4,6,7-hexahydro-1H-inden-5-one
InChI:
InChI=1S/C11H18O2/c1-11-5-4-10(13)6-8(11)2-3-9(11)7-12/h8-9,12H,2-7H2,1H3
InChI Key:
HJNOAJPJFAOZRL-UHFFFAOYSA-N
SMILES:
OCC1CCC2C1(C)CCC(=O)C2
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.131g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.263g/mol
Monoisotopic Mass:
182.131g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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