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Home > Other Heterocycles > 38284-38-7
38284-38-7 | 3-Buten-2-one,4-bicyclo[2.2.1]hept-5-en-2-yl-3-methyl-
CAS No: 38284-38-7 Catalog No: AG007AQI MDL No:
Product Description
Catalog Number:
AG007AQI
Chemical Name:
3-Buten-2-one,4-bicyclo[2.2.1]hept-5-en-2-yl-3-methyl-
CAS Number:
38284-38-7
Molecular Formula:
C12H16O
Molecular Weight:
176.2548
IUPAC Name:
(E)-4-(2-bicyclo[2.2.1]hept-5-enyl)-3-methylbut-3-en-2-one
InChI:
InChI=1S/C12H16O/c1-8(9(2)13)5-12-7-10-3-4-11(12)6-10/h3-5,10-12H,6-7H2,1-2H3/b8-5+
InChI Key:
MSRRPNTUWGQZMN-VMPITWQZSA-N
SMILES:
CC(=CC1CC2CC1C=C2)C(=O)C
EC Number:
253-860-6
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
176.12g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.259g/mol
Monoisotopic Mass:
176.12g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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