Home Other Building Blocks (S)-2-Benzylsuccinic acid

(S)-2-Benzylsuccinic acid

CAS No.:
3972-36-9
Catalog Number:
AG003CL4
Molecular Formula:
C11H12O4
Molecular Weight:
208.2106
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$18
- +
5g
98%
In Stock USA
United States
$40
- +
10g
98%
In Stock USA
United States
$69
- +
25g
98%
In Stock USA
United States
$132
- +
100g
98%
In Stock USA
United States
$400
- +
Product Description
Catalog Number:
AG003CL4
Chemical Name:
(S)-2-Benzylsuccinic acid
CAS Number:
3972-36-9
Molecular Formula:
C11H12O4
Molecular Weight:
208.2106
MDL Number:
MFCD00798341
IUPAC Name:
(2S)-2-benzylbutanedioic acid
InChI:
InChI=1S/C11H12O4/c12-10(13)7-9(11(14)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)(H,14,15)/t9-/m0/s1
InChI Key:
GTOFKXZQQDSVFH-VIFPVBQESA-N
SMILES:
OC(=O)[C@@H](Cc1ccccc1)CC(=O)O
EC Number:
609-742-5
Properties
Complexity:
231  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
208.074g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
208.213g/mol
Monoisotopic Mass:
208.074g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties