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109209-79-2 | 2-(hydroxymethyl)-2,3-dihydro-1-benzofuran-5-carbaldehyde
CAS No: 109209-79-2 Catalog No: AG01BPPD MDL No:MFCD30500479
Product Description
Catalog Number:
AG01BPPD
Chemical Name:
2-(hydroxymethyl)-2,3-dihydro-1-benzofuran-5-carbaldehyde
CAS Number:
109209-79-2
Molecular Formula:
C10H10O3
Molecular Weight:
178.1846
MDL Number:
MFCD30500479
IUPAC Name:
2-(hydroxymethyl)-2,3-dihydro-1-benzofuran-5-carbaldehyde
InChI:
InChI=1S/C10H10O3/c11-5-7-1-2-10-8(3-7)4-9(6-12)13-10/h1-3,5,9,12H,4,6H2
InChI Key:
PNIBONLGOQBMAK-UHFFFAOYSA-N
SMILES:
OCC1Oc2c(C1)cc(cc2)C=O
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.063g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.187g/mol
Monoisotopic Mass:
178.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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