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Home > Other Heterocycles > 85204-20-2
85204-20-2 | 2-Buten-1-ol,3-(3,3-dimethylbicyclo[2.2.1]hept-2-yl)-
CAS No: 85204-20-2 Catalog No: AG004QGI MDL No:
Product Description
Catalog Number:
AG004QGI
Chemical Name:
2-Buten-1-ol,3-(3,3-dimethylbicyclo[2.2.1]hept-2-yl)-
CAS Number:
85204-20-2
Molecular Formula:
C13H22O
Molecular Weight:
194.3132
IUPAC Name:
(Z)-3-(3,3-dimethyl-1-bicyclo[2.2.1]heptanyl)but-2-en-1-ol
InChI:
InChI=1S/C13H22O/c1-10(5-7-14)13-6-4-11(8-13)12(2,3)9-13/h5,11,14H,4,6-9H2,1-3H3/b10-5-
InChI Key:
GRSAOLWPCCZCBT-YHYXMXQVSA-N
SMILES:
OCC=C(C12CCC(C1)C(C2)(C)C)C
EC Number:
286-315-6
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
194.167g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
194.318g/mol
Monoisotopic Mass:
194.167g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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