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81258-10-8 | Pyrano[2,3-g]indol-9-ol,1,7,8,9-tetrahydro-5-methoxy-
CAS No: 81258-10-8 Catalog No: AG004Z4Q MDL No:
Product Description
Catalog Number:
AG004Z4Q
Chemical Name:
Pyrano[2,3-g]indol-9-ol,1,7,8,9-tetrahydro-5-methoxy-
CAS Number:
81258-10-8
Molecular Formula:
C12H13NO3
Molecular Weight:
219.2365
IUPAC Name:
5-methoxy-1,7,8,9-tetrahydropyrano[2,3-g]indol-9-ol
InChI:
InChI=1S/C12H13NO3/c1-15-9-6-7-2-4-13-11(7)10-8(14)3-5-16-12(9)10/h2,4,6,8,13-14H,3,5H2,1H3
InChI Key:
UQGUIYIZPJVMON-UHFFFAOYSA-N
SMILES:
COc1cc2cc[nH]c2c2c1OCCC2O
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
219.24g/mol
Monoisotopic Mass:
219.09g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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