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Home Carboxys Di(4-carboxymethyl)benzyl ether

Di(4-carboxymethyl)benzyl ether

CAS No.:
1951439-96-5
Catalog Number:
AG00I379
Molecular Formula:
C18H18O5
Molecular Weight:
314.3325
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$275
- +
5g
98%
In Stock USA
United States
$1000
- +
Product Description
Catalog Number:
AG00I379
Chemical Name:
Di(4-carboxymethyl)benzyl ether
CAS Number:
1951439-96-5
Molecular Formula:
C18H18O5
Molecular Weight:
314.3325
MDL Number:
MFCD30182405
IUPAC Name:
2-[4-[[4-(carboxymethyl)phenyl]methoxymethyl]phenyl]acetic acid
InChI:
InChI=1S/C18H18O5/c19-17(20)9-13-1-5-15(6-2-13)11-23-12-16-7-3-14(4-8-16)10-18(21)22/h1-8H,9-12H2,(H,19,20)(H,21,22)
InChI Key:
XHTBGKWWMRINLH-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1ccc(cc1)COCc1ccc(cc1)CC(=O)O
Properties
Complexity:
343  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.115g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
314.337g/mol
Monoisotopic Mass:
314.115g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties