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148679-89-4 | 1H-2-Benzopyran-1-carboxaldehyde
CAS No: 148679-89-4 Catalog No: AG001L3W MDL No:
Product Description
Catalog Number:
AG001L3W
Chemical Name:
1H-2-Benzopyran-1-carboxaldehyde
CAS Number:
148679-89-4
Molecular Formula:
C10H8O2
Molecular Weight:
160.1693
IUPAC Name:
1H-isochromene-1-carbaldehyde
InChI:
InChI=1S/C10H8O2/c11-7-10-9-4-2-1-3-8(9)5-6-12-10/h1-7,10H
InChI Key:
XCNJKTGJKDKMEC-UHFFFAOYSA-N
SMILES:
O=CC1OC=Cc2c1cccc2
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.052g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
160.172g/mol
Monoisotopic Mass:
160.052g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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