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(R)-2-Benzyl-3-hydroxypropionic Acid

CAT: 0572-TRC-B279010-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-B279010-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
123802-80-2
Synonyms
(R)-alpha-(Hydroxymethyl)-benzenepropanoic Acid; (R)-2-Benzyl-3-hydroxypropionic Acid; (R)-2-Hydroxymethyl-3-phenylpropionic Acid; (alphaR)-alpha-(Hydroxymethyl)-benzenepropanoic Acid;
Hazard Statement
No Data Available
Smiles
OC[C@@H](Cc1ccccc1)C(=O)O
Molecular Formula
C10H12O3
Molecular Weight
180.2
Shipping Conditions
Room Temperature

Chemical Information

2-Benzyl-3-hydroxypropanoic acid
CAS Number123802-80-2
PubChem CID562345
IUPAC Name2-benzyl-3-hydroxypropanoic acid
Molecular FormulaC10H12O3
Molecular Weight180.20
XLogP1
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count13
Formal Charge0
Complexity162
SMILES
C1=CC=C(C=C1)CC(CO)C(=O)O
InChI
InChI=1S/C10H12O3/c11-7-9(10(12)13)6-8-4-2-1-3-5-8/h1-5,9,11H,6-7H2,(H,12,13)
InChIKey
RDUHFHDKXQBHMH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Benzyl-3-hydroxypropanoic acid
CAS: 123802-80-2
CID: 562345
Formula: C10H12O3
MW: 180.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight180.20
XLogP31
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass180.078644241
Monoisotopic Mass180.078644241
Topological Polar Surface Area57.5 Ų
Heavy Atom Count13
Formal Charge0
Complexity162
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
463735(R) -2-Benzyl-3-hydroxypropionic Acid
465348-01S-2-Benzyl-3-hydroxypropionic Acid
MBS9023033-01(S)-2-Benzyl-3-hydroxypropionic acid
CSB-DT2541(S) -2-Benzyl-3- hydroxypropionic acid
OR471448(R) -3- (3-Bromophenyl) -2-hydroxypropionic acid
OR471446(R) -3- (4-Bromophenyl) -2-hydroxypropionic acid
291043-01R-3,3,3-Trifluoro-2-hydroxypropionic acid
JH90233(R) -3,3,3-TRIFLUORO-2-HYDROXYPROPIONIC ACID
OR471443(R) -2- (2-Chlorophenyl) -2-hydroxypropionic acid
OR471441(R) -2- (4-Chlorophenyl) -2-hydroxypropionic acid

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