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1053265-66-9 | 2-BroMo-5,5-diMethylcyclohex-1-enecarbaldehyde
CAS No: 1053265-66-9 Catalog No: AG0095TZ MDL No:MFCD16657670
Product Description
Catalog Number:
AG0095TZ
Chemical Name:
2-BroMo-5,5-diMethylcyclohex-1-enecarbaldehyde
CAS Number:
1053265-66-9
Molecular Formula:
C9H13BrO
Molecular Weight:
217.1029
MDL Number:
MFCD16657670
IUPAC Name:
2-bromo-5,5-dimethylcyclohexene-1-carbaldehyde
InChI:
InChI=1S/C9H13BrO/c1-9(2)4-3-8(10)7(5-9)6-11/h6H,3-5H2,1-2H3
InChI Key:
WDLIXFKCKLKMTD-UHFFFAOYSA-N
SMILES:
O=CC1=C(Br)CCC(C1)(C)C
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.015g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.106g/mol
Monoisotopic Mass:
216.015g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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