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100836-85-9

100836-85-9 | Propanoic acid, 2-(phenylmethoxy)-, (2R)-

CAS No: 100836-85-9 Catalog No: AG0002YX MDL No:MFCD06799065

Product Description

Catalog Number:
AG0002YX
Chemical Name:
Propanoic acid, 2-(phenylmethoxy)-, (2R)-
CAS Number:
100836-85-9
Molecular Formula:
C10H12O3
Molecular Weight:
180.2005
MDL Number:
MFCD06799065
IUPAC Name:
(2R)-2-phenylmethoxypropanoic acid
InChI:
InChI=1S/C10H12O3/c1-8(10(11)12)13-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,11,12)/t8-/m1/s1
InChI Key:
XWAVPOFYNPXXEL-MRVPVSSYSA-N
SMILES:
C[C@H](C(=O)O)OCc1ccccc1

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:
1  
Isotope Atom Count:
0
Molecular Weight:
180.203g/mol
Monoisotopic Mass:
180.079g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  

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