Home Carbonyls 2-(2-(tert-Butoxycarbonyl)isoindolin-1-yl)acetic acid

2-(2-(tert-Butoxycarbonyl)isoindolin-1-yl)acetic acid

CAS No.:
444583-13-5
Catalog Number:
AG00DKS9
Molecular Formula:
C15H19NO4
Molecular Weight:
277.3157
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Product Description
Catalog Number:
AG00DKS9
Chemical Name:
2-(2-(tert-Butoxycarbonyl)isoindolin-1-yl)acetic acid
CAS Number:
444583-13-5
Molecular Formula:
C15H19NO4
Molecular Weight:
277.3157
MDL Number:
MFCD13195382
IUPAC Name:
2-[2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dihydroisoindol-1-yl]acetic acid
InChI:
InChI=1S/C15H19NO4/c1-15(2,3)20-14(19)16-9-10-6-4-5-7-11(10)12(16)8-13(17)18/h4-7,12H,8-9H2,1-3H3,(H,17,18)
InChI Key:
XSSWFYSBSGAYOD-UHFFFAOYSA-N
SMILES:
OC(=O)CC1N(Cc2c1cccc2)C(=O)OC(C)(C)C
Properties
Complexity:
388  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.131g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
277.32g/mol
Monoisotopic Mass:
277.131g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties