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Home > Other Heterocycles > 84682-13-3
84682-13-3 | 2-Butenal,3-(3,3-dimethylbicyclo[2.2.1]hept-5-en-2-yl)-
CAS No: 84682-13-3 Catalog No: AG004POE MDL No:
Product Description
Catalog Number:
AG004POE
Chemical Name:
2-Butenal,3-(3,3-dimethylbicyclo[2.2.1]hept-5-en-2-yl)-
CAS Number:
84682-13-3
Molecular Formula:
C13H18O
Molecular Weight:
190.2814
IUPAC Name:
(Z)-3-(3,3-dimethyl-2-bicyclo[2.2.1]hept-5-enyl)but-2-enal
InChI:
InChI=1S/C13H18O/c1-9(6-7-14)12-10-4-5-11(8-10)13(12,2)3/h4-7,10-12H,8H2,1-3H3/b9-6-
InChI Key:
QCXOQARCPZNLPI-TWGQIWQCSA-N
SMILES:
O=CC=C(C1C2C=CC(C1(C)C)C2)C
EC Number:
283-574-7
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
190.136g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.286g/mol
Monoisotopic Mass:
190.136g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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