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40749-31-3 | 2-BENZOFURANGLYOXYLALDEHYDE
CAS No: 40749-31-3 Catalog No: AG0075E4 MDL No:MFCD09702448
Product Description
Catalog Number:
AG0075E4
Chemical Name:
2-BENZOFURANGLYOXYLALDEHYDE
CAS Number:
40749-31-3
Molecular Formula:
C10H6O3
Molecular Weight:
174.1528
MDL Number:
MFCD09702448
IUPAC Name:
2-(1-benzofuran-2-yl)-2-oxoacetaldehyde
InChI:
InChI=1S/C10H6O3/c11-6-8(12)10-5-7-3-1-2-4-9(7)13-10/h1-6H
InChI Key:
JAAVOKJKWKKIGF-UHFFFAOYSA-N
SMILES:
O=CC(=O)c1occ2c1cccc2
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.032g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.155g/mol
Monoisotopic Mass:
174.032g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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