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Home > Aldehydes > 1440961-37-4
1440961-37-4 | 3,3-dimethyl-2,3-dihydro-1-benzofuran-6-carbaldehyde
CAS No: 1440961-37-4 Catalog No: AG01BPBK MDL No:MFCD24857244
Product Description
Catalog Number:
AG01BPBK
Chemical Name:
3,3-dimethyl-2,3-dihydro-1-benzofuran-6-carbaldehyde
CAS Number:
1440961-37-4
Molecular Formula:
C11H12O2
Molecular Weight:
176.2118
MDL Number:
MFCD24857244
IUPAC Name:
3,3-dimethyl-2H-1-benzofuran-6-carbaldehyde
InChI:
InChI=1S/C11H12O2/c1-11(2)7-13-10-5-8(6-12)3-4-9(10)11/h3-6H,7H2,1-2H3
InChI Key:
KYLNIQHNJUDJEI-UHFFFAOYSA-N
SMILES:
O=Cc1ccc2c(c1)OCC2(C)C
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.084g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.215g/mol
Monoisotopic Mass:
176.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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