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99385-88-3 | 5-Hydroxy-2,3-dihydrobenzofuran-6-carbaldehyde
CAS No: 99385-88-3 Catalog No: AG006O8M MDL No:MFCD23135483
Product Description
Catalog Number:
AG006O8M
Chemical Name:
5-Hydroxy-2,3-dihydrobenzofuran-6-carbaldehyde
CAS Number:
99385-88-3
Molecular Formula:
C9H8O3
Molecular Weight:
164.1580
MDL Number:
MFCD23135483
IUPAC Name:
5-hydroxy-2,3-dihydro-1-benzofuran-6-carbaldehyde
InChI:
InChI=1S/C9H8O3/c10-5-7-4-9-6(1-2-12-9)3-8(7)11/h3-5,11H,1-2H2
InChI Key:
LJJCYCHRQDSXSG-UHFFFAOYSA-N
SMILES:
O=Cc1cc2OCCc2cc1O
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.047g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
164.16g/mol
Monoisotopic Mass:
164.047g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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