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Home > Other Heterocycles > 15099-93-1
15099-93-1 | Bicyclo[2.2.1]hept-5-en-2-one, 1,7,7-trimethyl-, (1R,4S)-
CAS No: 15099-93-1 Catalog No: AG001MZC MDL No:
Product Description
Catalog Number:
AG001MZC
Chemical Name:
Bicyclo[2.2.1]hept-5-en-2-one, 1,7,7-trimethyl-, (1R,4S)-
CAS Number:
15099-93-1
Molecular Formula:
C10H14O
Molecular Weight:
150.2176
IUPAC Name:
(1R)-1,7,7-trimethylbicyclo[2.2.1]hept-5-en-2-one
InChI:
InChI=1S/C10H14O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h4-5,7H,6H2,1-3H3/t7?,10-/m0/s1
InChI Key:
BQJYIYRCGDNPLN-MHPPCMCBSA-N
SMILES:
O=C1C[C@@H]2C([C@@]1(C)C=C2)(C)C
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
150.104g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
150.221g/mol
Monoisotopic Mass:
150.104g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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