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83501-37-5 | 3,4-dihydro-1H-2-benzopyran-1-carbaldehyde
CAS No: 83501-37-5 Catalog No: AG01BVR1 MDL No:MFCD18416378
Product Description
Catalog Number:
AG01BVR1
Chemical Name:
3,4-dihydro-1H-2-benzopyran-1-carbaldehyde
CAS Number:
83501-37-5
Molecular Formula:
C10H10O2
Molecular Weight:
162.1852
MDL Number:
MFCD18416378
IUPAC Name:
3,4-dihydro-1H-isochromene-1-carbaldehyde
InChI:
InChI=1S/C10H10O2/c11-7-10-9-4-2-1-3-8(9)5-6-12-10/h1-4,7,10H,5-6H2
InChI Key:
VVVHJMVBLCSBAT-UHFFFAOYSA-N
SMILES:
O=CC1OCCc2c1cccc2
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.068g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.188g/mol
Monoisotopic Mass:
162.068g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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