200,000+ products from a single source!
sales@angenechem.com
Home > Carboxes > 1309362-77-3
1309362-77-3 | Benzenepropanoic acid, 3-carboxy-α-hydroxy-, (αR)-
CAS No: 1309362-77-3 Catalog No: AG000V4P MDL No:MFCD23103706
Product Description
Catalog Number:
AG000V4P
Chemical Name:
Benzenepropanoic acid, 3-carboxy-α-hydroxy-, (αR)-
CAS Number:
1309362-77-3
Molecular Formula:
C10H10O5
Molecular Weight:
210.1834
MDL Number:
MFCD23103706
IUPAC Name:
3-[(2R)-2-carboxy-2-hydroxyethyl]benzoic acid
InChI:
InChI=1S/C10H10O5/c11-8(10(14)15)5-6-2-1-3-7(4-6)9(12)13/h1-4,8,11H,5H2,(H,12,13)(H,14,15)/t8-/m1/s1
InChI Key:
QOJNCZPYJHQQOQ-MRVPVSSYSA-N
SMILES:
O[C@@H](C(=O)O)Cc1cccc(c1)C(=O)O
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
210.053g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
210.185g/mol
Monoisotopic Mass:
210.053g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
94.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
Literature
| Title | Journal |
|---|---|
| Phenylpropionic acid derivates from the bark of Cerbera manghas. | Fitoterapia 20101001 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.