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115880-50-7 | Propanoic acid, 2-phenoxy-, methyl ester, (2R)-
CAS No: 115880-50-7 Catalog No: AG000H1M MDL No:
Product Description
Catalog Number:
AG000H1M
Chemical Name:
Propanoic acid, 2-phenoxy-, methyl ester, (2R)-
CAS Number:
115880-50-7
Molecular Formula:
C10H12O3
Molecular Weight:
180.2005
IUPAC Name:
methyl (2R)-2-phenoxypropanoate
InChI:
InChI=1S/C10H12O3/c1-8(10(11)12-2)13-9-6-4-3-5-7-9/h3-8H,1-2H3/t8-/m1/s1
InChI Key:
KIBRBMKSBVQDMK-MRVPVSSYSA-N
SMILES:
COC(=O)[C@H](Oc1ccccc1)C
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
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:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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