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201730-10-1 | 1,2-Benzenedicarboxylic acid, 4-[(R)-aminocarboxymethyl]-
CAS No: 201730-10-1 Catalog No: AG0027T4 MDL No:
Product Description
Catalog Number:
AG0027T4
Chemical Name:
1,2-Benzenedicarboxylic acid, 4-[(R)-aminocarboxymethyl]-
CAS Number:
201730-10-1
Molecular Formula:
C10H9NO6
Molecular Weight:
239.1816
IUPAC Name:
4-[(R)-amino(carboxy)methyl]phthalic acid
InChI:
InChI=1S/C10H9NO6/c11-7(10(16)17)4-1-2-5(8(12)13)6(3-4)9(14)15/h1-3,7H,11H2,(H,12,13)(H,14,15)(H,16,17)/t7-/m1/s1
InChI Key:
IJVMOGKBEVRBPP-SSDOTTSWSA-N
SMILES:
N[C@H](c1ccc(c(c1)C(=O)O)C(=O)O)C(=O)O
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
239.043g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
239.183g/mol
Monoisotopic Mass:
239.043g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.7
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