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102096-60-6 | 2-Propenoic acid, (3R)-tetrahydro-4,4-dimethyl-2-oxo-3-furanyl ester
CAS No: 102096-60-6 Catalog No: AG0006MA MDL No:MFCD00043403
Product Description
Catalog Number:
AG0006MA
Chemical Name:
2-Propenoic acid, (3R)-tetrahydro-4,4-dimethyl-2-oxo-3-furanyl ester
CAS Number:
102096-60-6
Molecular Formula:
C9H12O4
Molecular Weight:
184.1892
MDL Number:
MFCD00043403
IUPAC Name:
[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] prop-2-enoate
InChI:
InChI=1S/C9H12O4/c1-4-6(10)13-7-8(11)12-5-9(7,2)3/h4,7H,1,5H2,2-3H3/t7-/m0/s1
InChI Key:
ICMBTQSRUNSRKI-ZETCQYMHSA-N
SMILES:
C=CC(=O)O[C@H]1C(=O)OCC1(C)C
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
184.074g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.191g/mol
Monoisotopic Mass:
184.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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