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1200-67-5 | Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, 2-formate, (1R,2R,4R)-rel-
CAS No: 1200-67-5 Catalog No: AG000Q24 MDL No:
Product Description
Catalog Number:
AG000Q24
Chemical Name:
Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, 2-formate, (1R,2R,4R)-rel-
CAS Number:
1200-67-5
Molecular Formula:
C11H18O2
Molecular Weight:
182.2594
IUPAC Name:
[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] formate
InChI:
InChI=1S/C11H18O2/c1-10(2)8-4-5-11(10,3)9(6-8)13-7-12/h7-9H,4-6H2,1-3H3/t8-,9-,11+/m1/s1
InChI Key:
RDWUNORUTVEHJF-KKZNHRDASA-N
SMILES:
O=CO[C@@H]1C[C@@H]2C([C@@]1(C)CC2)(C)C
EC Number:
214-853-3
FEMA Number:
2162
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
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:
0
Isotope Atom Count:
0
Molecular Weight:
182.263g/mol
Monoisotopic Mass:
182.131g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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