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Home > Aldehydes > 129811-96-7
129811-96-7 | 1H-2-Benzopyran-1-acetaldehyde, 3,4-dihydro-3-hydroxy-
CAS No: 129811-96-7 Catalog No: AG000TQ3 MDL No:
Product Description
Catalog Number:
AG000TQ3
Chemical Name:
1H-2-Benzopyran-1-acetaldehyde, 3,4-dihydro-3-hydroxy-
CAS Number:
129811-96-7
Molecular Formula:
C11H12O3
Molecular Weight:
192.2112
IUPAC Name:
2-(3-hydroxy-3,4-dihydro-1H-isochromen-1-yl)acetaldehyde
InChI:
InChI=1S/C11H12O3/c12-6-5-10-9-4-2-1-3-8(9)7-11(13)14-10/h1-4,6,10-11,13H,5,7H2
InChI Key:
JEHFYSYHVVIXIA-UHFFFAOYSA-N
SMILES:
O=CCC1OC(O)Cc2c1cccc2
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
192.214g/mol
Monoisotopic Mass:
192.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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