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72927-97-0 | 3-Cyclohexene-1-carboxaldehyde,5-(2-hydroxy-2-methylpropylidene)-
CAS No: 72927-97-0 Catalog No: AG005YTK MDL No:
Product Description
Catalog Number:
AG005YTK
Chemical Name:
3-Cyclohexene-1-carboxaldehyde,5-(2-hydroxy-2-methylpropylidene)-
CAS Number:
72927-97-0
Molecular Formula:
C11H16O2
Molecular Weight:
180.2435
IUPAC Name:
5-(2-hydroxy-2-methylpropylidene)cyclohex-3-ene-1-carbaldehyde
InChI:
InChI=1S/C11H16O2/c1-11(2,13)7-9-4-3-5-10(6-9)8-12/h3-4,7-8,10,13H,5-6H2,1-2H3
InChI Key:
HZHOPLNHGZJIDX-UHFFFAOYSA-N
SMILES:
O=CC1CC=CC(=CC(O)(C)C)C1
EC Number:
277-038-1
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
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:
1
XLogP3:
0.8
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