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Home > Aldehydes > 1212021-95-8
1212021-95-8 | Isochroman-4-carbaldehyde
CAS No: 1212021-95-8 Catalog No: AG01FFHV MDL No:
Product Description
Catalog Number:
AG01FFHV
Chemical Name:
Isochroman-4-carbaldehyde
CAS Number:
1212021-95-8
Molecular Formula:
C10H10O2
Molecular Weight:
162.1852
IUPAC Name:
3,4-dihydro-1H-isochromene-4-carbaldehyde
InChI:
InChI=1S/C10H10O2/c11-5-9-7-12-6-8-3-1-2-4-10(8)9/h1-5,9H,6-7H2
InChI Key:
LGRNTDGHFKCLDL-UHFFFAOYSA-N
SMILES:
O=CC1COCc2c1cccc2
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.068g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.188g/mol
Monoisotopic Mass:
162.068g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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