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5888-33-5 | 2-Propenoic acid, (1R,2R,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, rel-
CAS No: 5888-33-5 Catalog No: AG00351J MDL No:MFCD00080424
Product Description
Catalog Number:
AG00351J
Chemical Name:
2-Propenoic acid, (1R,2R,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, rel-
CAS Number:
5888-33-5
Molecular Formula:
C13H20O2
Molecular Weight:
208.2967
MDL Number:
MFCD00080424
IUPAC Name:
[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] prop-2-enoate
InChI:
InChI=1S/C13H20O2/c1-5-11(14)15-10-8-9-6-7-13(10,4)12(9,2)3/h5,9-10H,1,6-8H2,2-4H3/t9-,10-,13+/m1/s1
InChI Key:
PSGCQDPCAWOCSH-BREBYQMCSA-N
SMILES:
C=CC(=O)O[C@@H]1C[C@@H]2C([C@@]1(C)CC2)(C)C
EC Number:
227-561-6
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
208.146g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.301g/mol
Monoisotopic Mass:
208.146g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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