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1179702-28-3 | [Cyclopropyl-(4-methyl-benzyl)-amino]-acetic acid
CAS No: 1179702-28-3 Catalog No: AG01F96L MDL No:
Product Description
Catalog Number:
AG01F96L
Chemical Name:
[Cyclopropyl-(4-methyl-benzyl)-amino]-acetic acid
CAS Number:
1179702-28-3
Molecular Formula:
C13H17NO2
Molecular Weight:
219.2796
IUPAC Name:
2-[cyclopropyl-[(4-methylphenyl)methyl]amino]acetic acid
InChI:
InChI=1S/C13H17NO2/c1-10-2-4-11(5-3-10)8-14(9-13(15)16)12-6-7-12/h2-5,12H,6-9H2,1H3,(H,15,16)
InChI Key:
AYUOVMVBUBCZFG-UHFFFAOYSA-N
SMILES:
OC(=O)CN(C1CC1)Cc1ccc(cc1)C
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.126g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.284g/mol
Monoisotopic Mass:
219.126g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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