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72983-68-7 | 2-Cyclohexene-1-acetaldehyde,2-methyl-5-(1-methylethenyl)-
CAS No: 72983-68-7 Catalog No: AG008QTE MDL No:
Product Description
Catalog Number:
AG008QTE
Chemical Name:
2-Cyclohexene-1-acetaldehyde,2-methyl-5-(1-methylethenyl)-
CAS Number:
72983-68-7
Molecular Formula:
C12H18O
Molecular Weight:
178.2707
IUPAC Name:
2-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl)acetaldehyde
InChI:
InChI=1S/C12H18O/c1-9(2)11-5-4-10(3)12(8-11)6-7-13/h4,7,11-12H,1,5-6,8H2,2-3H3
InChI Key:
HZRBBXZWSHOZKT-UHFFFAOYSA-N
SMILES:
CC1=CCC(CC1CC=O)C(=C)C
EC Number:
277-160-5
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.136g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.275g/mol
Monoisotopic Mass:
178.136g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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