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73702-87-1 | 6-Benzofurancarboxaldehyde, 4,5,6,7-tetrahydro-3,6-dimethyl-4-oxo-
CAS No: 73702-87-1 Catalog No: AG005BVS MDL No:
Product Description
Catalog Number:
AG005BVS
Chemical Name:
6-Benzofurancarboxaldehyde, 4,5,6,7-tetrahydro-3,6-dimethyl-4-oxo-
CAS Number:
73702-87-1
Molecular Formula:
C11H12O3
Molecular Weight:
192.2112
IUPAC Name:
3,6-dimethyl-4-oxo-5,7-dihydro-1-benzofuran-6-carbaldehyde
InChI:
InChI=1S/C11H12O3/c1-7-5-14-9-4-11(2,6-12)3-8(13)10(7)9/h5-6H,3-4H2,1-2H3
InChI Key:
KHIOZRMMWBXOIR-UHFFFAOYSA-N
SMILES:
O=CC1(C)CC(=O)c2c(C1)occ2C
Properties
Complexity:
274
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:
0
Isotope Atom Count:
0
Molecular Weight:
192.214g/mol
Monoisotopic Mass:
192.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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