Home Aminos Benzeneacetic acid, a,3-diamino-

Benzeneacetic acid, a,3-diamino-

CAS No.:
90271-39-9
Catalog Number:
AG00IG1Z
Molecular Formula:
C8H10N2O2
Molecular Weight:
166.1772
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Product Description
Catalog Number:
AG00IG1Z
Chemical Name:
Benzeneacetic acid, a,3-diamino-
CAS Number:
90271-39-9
Molecular Formula:
C8H10N2O2
Molecular Weight:
166.1772
IUPAC Name:
2-amino-2-(3-aminophenyl)acetic acid
InChI:
InChI=1S/C8H10N2O2/c9-6-3-1-2-5(4-6)7(10)8(11)12/h1-4,7H,9-10H2,(H,11,12)
InChI Key:
UCGZNHXYVJOCMV-UHFFFAOYSA-N
SMILES:
OC(=O)C(c1cccc(c1)N)N
Properties
Complexity:
172  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.074g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
166.18g/mol
Monoisotopic Mass:
166.074g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
89.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.4  
Properties