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19250-17-0 | Bicyclo[3.1.1]hept-2-ene-2-carboxylic acid, 6,6-dimethyl-
CAS No: 19250-17-0 Catalog No: AG002G10 MDL No:MFCD19301220
Product Description
Catalog Number:
AG002G10
Chemical Name:
Bicyclo[3.1.1]hept-2-ene-2-carboxylic acid, 6,6-dimethyl-
CAS Number:
19250-17-0
Molecular Formula:
C10H14O2
Molecular Weight:
166.2170
MDL Number:
MFCD19301220
IUPAC Name:
6,6-dimethylbicyclo[3.1.1]hept-2-ene-2-carboxylic acid
InChI:
InChI=1S/C10H14O2/c1-10(2)6-3-4-7(9(11)12)8(10)5-6/h4,6,8H,3,5H2,1-2H3,(H,11,12)
InChI Key:
XPHVDOXZJRTIMV-UHFFFAOYSA-N
SMILES:
OC(=O)C1=CCC2CC1C2(C)C
EC Number:
242-920-7
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.099g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
166.22g/mol
Monoisotopic Mass:
166.099g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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