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Home > Other Heterocycles > 1137-36-6
1137-36-6 | 1-Butanol, 4-(3,3-dimethylbicyclo[2.2.1]hept-2-ylidene)-2-methyl-
CAS No: 1137-36-6 Catalog No: AG0009D9 MDL No:
Product Description
Catalog Number:
AG0009D9
Chemical Name:
1-Butanol, 4-(3,3-dimethylbicyclo[2.2.1]hept-2-ylidene)-2-methyl-
CAS Number:
1137-36-6
Molecular Formula:
C14H24O
Molecular Weight:
208.3398
IUPAC Name:
(4Z)-4-(3,3-dimethyl-2-bicyclo[2.2.1]heptanylidene)-2-methylbutan-1-ol
InChI:
InChI=1S/C14H24O/c1-10(9-15)4-7-13-11-5-6-12(8-11)14(13,2)3/h7,10-12,15H,4-6,8-9H2,1-3H3/b13-7-
InChI Key:
FQPGTHPPMYPBEG-QPEQYQDCSA-N
SMILES:
OCC(CC=C1C2CCC(C1(C)C)C2)C
EC Number:
214-505-0
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
208.183g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.345g/mol
Monoisotopic Mass:
208.183g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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