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10224-11-0 | 2H-Benzocyclohepten-2-one, 3-methoxy-
CAS No: 10224-11-0 Catalog No: AG00070F MDL No:
Product Description
Catalog Number:
AG00070F
Chemical Name:
2H-Benzocyclohepten-2-one, 3-methoxy-
CAS Number:
10224-11-0
Molecular Formula:
C12H10O2
Molecular Weight:
186.2066
IUPAC Name:
2-methoxybenzo[7]annulen-3-one
InChI:
InChI=1S/C12H10O2/c1-14-12-8-10-6-4-2-3-5-9(10)7-11(12)13/h2-8H,1H3
InChI Key:
AUNNFKDSTSBBAS-UHFFFAOYSA-N
SMILES:
COc1cc2cccccc2cc1=O
NSC Number:
146100
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.068g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.21g/mol
Monoisotopic Mass:
186.068g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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