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72939-53-8 | 3-Cyclohexene-1-carboxaldehyde,2-(2-hydroxy-2-methylpropylidene)-
CAS No: 72939-53-8 Catalog No: AG008QVY MDL No:
Product Description
Catalog Number:
AG008QVY
Chemical Name:
3-Cyclohexene-1-carboxaldehyde,2-(2-hydroxy-2-methylpropylidene)-
CAS Number:
72939-53-8
Molecular Formula:
C11H16O2
Molecular Weight:
180.2435
IUPAC Name:
(2E)-2-(2-hydroxy-2-methylpropylidene)cyclohex-3-ene-1-carbaldehyde
InChI:
InChI=1S/C11H16O2/c1-11(2,13)7-9-5-3-4-6-10(9)8-12/h3,5,7-8,10,13H,4,6H2,1-2H3/b9-7+
InChI Key:
GWKHZXGRPBDDKT-VQHVLOKHSA-N
SMILES:
O=CC1CCC=CC1=CC(O)(C)C
EC Number:
277-107-6
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
180.115g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.247g/mol
Monoisotopic Mass:
180.115g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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