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Home > Other Heterocycles > 75022-93-4
75022-93-4 | Bicyclo[3.2.1]oct-3-en-2-one, 4-methoxy-8,8-dimethyl-
CAS No: 75022-93-4 Catalog No: AG005ENX MDL No:
Product Description
Catalog Number:
AG005ENX
Chemical Name:
Bicyclo[3.2.1]oct-3-en-2-one, 4-methoxy-8,8-dimethyl-
CAS Number:
75022-93-4
Molecular Formula:
C11H16O2
Molecular Weight:
180.2435
IUPAC Name:
4-methoxy-8,8-dimethylbicyclo[3.2.1]oct-3-en-2-one
InChI:
InChI=1S/C11H16O2/c1-11(2)7-4-5-8(11)10(13-3)6-9(7)12/h6-8H,4-5H2,1-3H3
InChI Key:
XRVLMZCYOHJWKF-UHFFFAOYSA-N
SMILES:
COC1=CC(=O)C2C(C1CC2)(C)C
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.115g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.247g/mol
Monoisotopic Mass:
180.115g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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