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Benzyl (S) - (-) -lactate

CAT: 0926-FB60140-01Size: 0.05 kgDry Ice: NoHazardous: No
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CAT#:0926-FB60140-01Size:0.05 kg
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CAS Number
56777-24-3
Synonyms
(S) - (-) -Lactic acid benzyl ester
MDL Number
MFCD00209546
Smiles
C[C@@H] (C (=O) OCC1=CC=CC=C1) O
Molecular Formula
C10H12O3
Molecular Weight
180.2 g/mol
Controlled
No

Chemical Information

benzyl (2S)-2-hydroxypropanoate
CAS Number56777-24-3
PubChem CID11052238
IUPAC Namebenzyl (2S)-2-hydroxypropanoate
Molecular FormulaC10H12O3
Molecular Weight180.20
XLogP1.4
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count13
Formal Charge0
Complexity162
SMILES
C[C@@H](C(=O)OCC1=CC=CC=C1)O
InChI
InChI=1S/C10H12O3/c1-8(11)10(12)13-7-9-5-3-2-4-6-9/h2-6,8,11H,7H2,1H3/t8-/m0/s1
InChIKey
ZYTLPUIDJRKAAM-QMMMGPOBSA-N
Chemical Structure
2D Structure
2D structure of benzyl (2S)-2-hydroxypropanoate
CAS: 56777-24-3
CID: 11052238
Formula: C10H12O3
MW: 180.20
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight180.20
XLogP31.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass180.078644241
Monoisotopic Mass180.078644241
Topological Polar Surface Area46.5 Ų
Heavy Atom Count13
Formal Charge0
Complexity162
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes