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1181771-28-7 | [Cyclopropyl-(4-methoxy-benzyl)-amino]-acetic acid
CAS No: 1181771-28-7 Catalog No: AG01F8Y4 MDL No:
Product Description
Catalog Number:
AG01F8Y4
Chemical Name:
[Cyclopropyl-(4-methoxy-benzyl)-amino]-acetic acid
CAS Number:
1181771-28-7
Molecular Formula:
C13H17NO3
Molecular Weight:
235.2790
IUPAC Name:
2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetic acid
InChI:
InChI=1S/C13H17NO3/c1-17-12-6-2-10(3-7-12)8-14(9-13(15)16)11-4-5-11/h2-3,6-7,11H,4-5,8-9H2,1H3,(H,15,16)
InChI Key:
IVIXZUZGXAUIFY-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)CN(C1CC1)CC(=O)O
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.121g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.283g/mol
Monoisotopic Mass:
235.121g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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