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Home Other Building Blocks 2-(3-methoxybenzyl)succinic acid

2-(3-methoxybenzyl)succinic acid

CAS No.:
20940-75-4
Catalog Number:
AG019EZQ
Molecular Formula:
C12H14O5
Molecular Weight:
238.2366
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$273
- +
250mg
95%
In Stock USA
United States
$504
- +
1g
95%
In Stock USA
United States
$1008
- +
Product Description
Catalog Number:
AG019EZQ
Chemical Name:
2-(3-methoxybenzyl)succinic acid
CAS Number:
20940-75-4
Molecular Formula:
C12H14O5
Molecular Weight:
238.2366
MDL Number:
MFCD00582472
IUPAC Name:
2-[(3-methoxyphenyl)methyl]butanedioic acid
InChI:
InChI=1S/C12H14O5/c1-17-10-4-2-3-8(6-10)5-9(12(15)16)7-11(13)14/h2-4,6,9H,5,7H2,1H3,(H,13,14)(H,15,16)
InChI Key:
FMZYGPLENOEZAC-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)CC(C(=O)O)CC(=O)O
Properties
Complexity:
276  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.084g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
238.239g/mol
Monoisotopic Mass:
238.084g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Literature
Title Journal
The practical synthesis of (2S)-7-methoxy-1,2,3,4-tetrahydro-2-naphthylamine via optical resolution of 2-(3-methoxybenzyl)succinic acid. Chemical & pharmaceutical bulletin 20010301
Properties