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40851-65-8 | 2-(2-(Aminomethyl)phenyl)acetic acid
CAS No: 40851-65-8 Catalog No: AG00334A MDL No:MFCD04038440
Product Description
Catalog Number:
AG00334A
Chemical Name:
2-(2-(Aminomethyl)phenyl)acetic acid
CAS Number:
40851-65-8
Molecular Formula:
C9H11NO2
Molecular Weight:
165.1891
MDL Number:
MFCD04038440
IUPAC Name:
2-[2-(aminomethyl)phenyl]acetic acid
InChI:
InChI=1S/C9H11NO2/c10-6-8-4-2-1-3-7(8)5-9(11)12/h1-4H,5-6,10H2,(H,11,12)
InChI Key:
VLOIVYPDUSVCLZ-UHFFFAOYSA-N
SMILES:
NCc1ccccc1CC(=O)O
EC Number:
255-110-3
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.079g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
165.192g/mol
Monoisotopic Mass:
165.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.9
Literature
| Title | Journal |
|---|---|
| Potent macrocyclic inhibitors of insulin-regulated aminopeptidase (IRAP) by olefin ring-closing metathesis. | Journal of medicinal chemistry 20110609 |
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