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40724-67-2 | (1S,4R)-7,7-Dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxylic acid
CAS No: 40724-67-2 Catalog No: AG003BJQ MDL No:MFCD08061242
Product Description
Catalog Number:
AG003BJQ
Chemical Name:
(1S,4R)-7,7-Dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxylic acid
CAS Number:
40724-67-2
Molecular Formula:
C10H14O3
Molecular Weight:
182.2164
MDL Number:
MFCD08061242
IUPAC Name:
(1S,4R)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxylic acid
InChI:
InChI=1S/C10H14O3/c1-9(2)6-3-4-10(9,8(12)13)7(11)5-6/h6H,3-5H2,1-2H3,(H,12,13)/t6-,10+/m1/s1
InChI Key:
WDODWBQJVMBHCO-LDWIPMOCSA-N
SMILES:
OC(=O)[C@]12CC[C@@H](C2(C)C)CC1=O
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
182.094g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.219g/mol
Monoisotopic Mass:
182.094g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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