Home Other Building Blocks (4-BUTOXY-BENZOYLAMINO)-ACETIC ACID

(4-BUTOXY-BENZOYLAMINO)-ACETIC ACID

CAS No.:
51220-55-4
Catalog Number:
AG00DII4
Molecular Formula:
C13H17NO4
Molecular Weight:
251.2784
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Product Description
Catalog Number:
AG00DII4
Chemical Name:
(4-BUTOXY-BENZOYLAMINO)-ACETIC ACID
CAS Number:
51220-55-4
Molecular Formula:
C13H17NO4
Molecular Weight:
251.2784
MDL Number:
MFCD00690087
IUPAC Name:
2-[(4-butoxybenzoyl)amino]acetic acid
InChI:
InChI=1S/C13H17NO4/c1-2-3-8-18-11-6-4-10(5-7-11)13(17)14-9-12(15)16/h4-7H,2-3,8-9H2,1H3,(H,14,17)(H,15,16)
InChI Key:
UCEXMJMSILZCHZ-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc(cc1)C(=O)NCC(=O)O
Properties
Complexity:
272  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.116g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
251.282g/mol
Monoisotopic Mass:
251.116g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties