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115822-61-2 | 2H-1-Benzopyran-3-methanol
CAS No: 115822-61-2 Catalog No: AG000GWO MDL No:
Product Description
Catalog Number:
AG000GWO
Chemical Name:
2H-1-Benzopyran-3-methanol
CAS Number:
115822-61-2
Molecular Formula:
C10H10O2
Molecular Weight:
162.1852
IUPAC Name:
2H-chromen-3-ylmethanol
InChI:
InChI=1S/C10H10O2/c11-6-8-5-9-3-1-2-4-10(9)12-7-8/h1-5,11H,6-7H2
InChI Key:
UCIFNZYYNUQDAW-UHFFFAOYSA-N
SMILES:
OCC1=Cc2c(OC1)cccc2
Properties
Complexity:
186
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:
1
Isotope Atom Count:
0
Molecular Weight:
162.188g/mol
Monoisotopic Mass:
162.068g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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