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Home > Aldehydes > 821005-51-0
821005-51-0 | Benzaldehyde,3-(2-cyclopenten-1-yl)-2-hydroxy-5-methyl-
CAS No: 821005-51-0 Catalog No: AG0051SY MDL No:
Product Description
Catalog Number:
AG0051SY
Chemical Name:
Benzaldehyde,3-(2-cyclopenten-1-yl)-2-hydroxy-5-methyl-
CAS Number:
821005-51-0
Molecular Formula:
C13H14O2
Molecular Weight:
202.2491
IUPAC Name:
3-cyclopent-2-en-1-yl-2-hydroxy-5-methylbenzaldehyde
InChI:
InChI=1S/C13H14O2/c1-9-6-11(8-14)13(15)12(7-9)10-4-2-3-5-10/h2,4,6-8,10,15H,3,5H2,1H3
InChI Key:
ZKVQEIMVCREISE-UHFFFAOYSA-N
SMILES:
O=Cc1cc(C)cc(c1O)C1C=CCC1
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.099g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
202.253g/mol
Monoisotopic Mass:
202.099g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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