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327106-88-7 | (3E)-2-hydroxy-3-(phenylmethylidene)cyclohex-1-ene-1-carbaldehyde
CAS No: 327106-88-7 Catalog No: AG01BIBY MDL No:MFCD02708608
Product Description
Catalog Number:
AG01BIBY
Chemical Name:
(3E)-2-hydroxy-3-(phenylmethylidene)cyclohex-1-ene-1-carbaldehyde
CAS Number:
327106-88-7
Molecular Formula:
C14H14O2
Molecular Weight:
214.2598
MDL Number:
MFCD02708608
IUPAC Name:
2-benzylidene-6-(hydroxymethylidene)cyclohexan-1-one
InChI:
InChI=1S/C14H14O2/c15-10-13-8-4-7-12(14(13)16)9-11-5-2-1-3-6-11/h1-3,5-6,9-10,15H,4,7-8H2
InChI Key:
HYRYUUVXVWIWMO-UHFFFAOYSA-N
SMILES:
O=CC1=C(O)C(=Cc2ccccc2)CCC1
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.099g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.264g/mol
Monoisotopic Mass:
214.099g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
3.4
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