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67670-72-8 | Bicyclo[4.1.0]hept-3-ene-2,5-dione, 3,7,7-trimethyl-, (1S)-
CAS No: 67670-72-8 Catalog No: AG00644L MDL No:
Product Description
Catalog Number:
AG00644L
Chemical Name:
Bicyclo[4.1.0]hept-3-ene-2,5-dione, 3,7,7-trimethyl-, (1S)-
CAS Number:
67670-72-8
Molecular Formula:
C10H12O2
Molecular Weight:
164.2011
IUPAC Name:
(1S)-3,7,7-trimethylbicyclo[4.1.0]hept-3-ene-2,5-dione
InChI:
InChI=1S/C10H12O2/c1-5-4-6(11)7-8(9(5)12)10(7,2)3/h4,7-8H,1-3H3/t7?,8-/m1/s1
InChI Key:
BBRJZZUFDYMNIY-BRFYHDHCSA-N
SMILES:
CC1=CC(=O)C2[C@H](C1=O)C2(C)C
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
164.084g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.204g/mol
Monoisotopic Mass:
164.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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