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1758-83-4 | Phenylalanine, 2-amino-
CAS No: 1758-83-4 Catalog No: AG00217F MDL No:MFCD09842024
Product Description
Catalog Number:
AG00217F
Chemical Name:
Phenylalanine, 2-amino-
CAS Number:
1758-83-4
Molecular Formula:
C9H12N2O2
Molecular Weight:
180.2038
MDL Number:
MFCD09842024
IUPAC Name:
2-amino-3-(2-aminophenyl)propanoic acid
InChI:
InChI=1S/C9H12N2O2/c10-7-4-2-1-3-6(7)5-8(11)9(12)13/h1-4,8H,5,10-11H2,(H,12,13)
InChI Key:
DJZAVKNBQZFEAL-UHFFFAOYSA-N
SMILES:
OC(=O)[C@H](Cc1ccccc1N)N
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.09g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
180.207g/mol
Monoisotopic Mass:
180.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
89.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.1
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