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100465-21-2 | L-Aspartic acid, N-(4-hydroxybenzoyl)-
CAS No: 100465-21-2 Catalog No: AG00022A MDL No:
Product Description
Catalog Number:
AG00022A
Chemical Name:
L-Aspartic acid, N-(4-hydroxybenzoyl)-
CAS Number:
100465-21-2
Molecular Formula:
C11H11NO6
Molecular Weight:
253.2081
IUPAC Name:
(2S)-2-[(4-hydroxybenzoyl)amino]butanedioic acid
InChI:
InChI=1S/C11H11NO6/c13-7-3-1-6(2-4-7)10(16)12-8(11(17)18)5-9(14)15/h1-4,8,13H,5H2,(H,12,16)(H,14,15)(H,17,18)/t8-/m0/s1
InChI Key:
XNEKKBFYRQYNOH-QMMMGPOBSA-N
SMILES:
OC(=O)C[C@@H](C(=O)O)NC(=O)c1ccc(cc1)O
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
253.059g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
253.21g/mol
Monoisotopic Mass:
253.059g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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