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114674-00-9 | Bicyclo[3.1.0]hexane-1-carboxylic acid, 6-ethenyl-2-oxo-, methyl ester
CAS No: 114674-00-9 Catalog No: AG000F03 MDL No:
Product Description
Catalog Number:
AG000F03
Chemical Name:
Bicyclo[3.1.0]hexane-1-carboxylic acid, 6-ethenyl-2-oxo-, methyl ester
CAS Number:
114674-00-9
Molecular Formula:
C10H12O3
Molecular Weight:
180.2005
IUPAC Name:
methyl 6-ethenyl-2-oxobicyclo[3.1.0]hexane-1-carboxylate
InChI:
InChI=1S/C10H12O3/c1-3-6-7-4-5-8(11)10(6,7)9(12)13-2/h3,6-7H,1,4-5H2,2H3
InChI Key:
NCADATUXOMLAHI-UHFFFAOYSA-N
SMILES:
C=CC1C2C1(C(=O)OC)C(=O)CC2
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.203g/mol
Monoisotopic Mass:
180.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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