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Home > Other Heterocycles > 826-14-2
826-14-2 | Bicyclo[6.1.0]nona-2,4,6-triene, 9-methoxy-
CAS No: 826-14-2 Catalog No: AG005CQ8 MDL No:
Product Description
Catalog Number:
AG005CQ8
Chemical Name:
Bicyclo[6.1.0]nona-2,4,6-triene, 9-methoxy-
CAS Number:
826-14-2
Molecular Formula:
C10H12O
Molecular Weight:
148.2017
IUPAC Name:
9-methoxybicyclo[6.1.0]nona-2,4,6-triene
InChI:
InChI=1S/C10H12O/c1-11-10-8-6-4-2-3-5-7-9(8)10/h2-10H,1H3
InChI Key:
TYQBOMXGBFQRGR-UHFFFAOYSA-N
SMILES:
COC1C2C1C=CC=CC=C2
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.089g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
148.205g/mol
Monoisotopic Mass:
148.089g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
3
XLogP3:
2.2
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