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1215178-12-3 | Benzeneacetic acid, 2-chloro-α-hydroxy-α-methyl-, (αS)-
CAS No: 1215178-12-3 Catalog No: AG00154V MDL No:MFCD05663616
Product Description
Catalog Number:
AG00154V
Chemical Name:
Benzeneacetic acid, 2-chloro-α-hydroxy-α-methyl-, (αS)-
CAS Number:
1215178-12-3
Molecular Formula:
C9H9ClO3
Molecular Weight:
200.6190
MDL Number:
MFCD05663616
IUPAC Name:
(2S)-2-(2-chlorophenyl)-2-hydroxypropanoic acid
InChI:
InChI=1S/C9H9ClO3/c1-9(13,8(11)12)6-4-2-3-5-7(6)10/h2-5,13H,1H3,(H,11,12)/t9-/m0/s1
InChI Key:
ZEXPENITPLXFLY-VIFPVBQESA-N
SMILES:
OC(=O)[C@](c1ccccc1Cl)(O)C
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
200.024g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
200.618g/mol
Monoisotopic Mass:
200.024g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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