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Home > Other Heterocycles > 67254-26-6
67254-26-6 | Bicyclo[2.2.1]heptan-2-ol,1,7,7-trimethyl-, 2-nitrate, (1R,2R,4R)-rel-
CAS No: 67254-26-6 Catalog No: AG00639H MDL No:
Product Description
Catalog Number:
AG00639H
Chemical Name:
Bicyclo[2.2.1]heptan-2-ol,1,7,7-trimethyl-, 2-nitrate, (1R,2R,4R)-rel-
CAS Number:
67254-26-6
Molecular Formula:
C10H17NO3
Molecular Weight:
199.2469
IUPAC Name:
[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] nitrate
InChI:
InChI=1S/C10H17NO3/c1-9(2)7-4-5-10(9,3)8(6-7)14-11(12)13/h7-8H,4-6H2,1-3H3/t7-,8+,10-/m1/s1
InChI Key:
RHQUOEGVZAXDKH-KHQFGBGNSA-N
SMILES:
C[C@@]12CC[C@@H](C2(C)C)C[C@@H]1O[N+](=O)[O-]
NSC Number:
79175
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
199.121g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.25g/mol
Monoisotopic Mass:
199.121g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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