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71195-09-0 | DL-Aspartic acid, 3-methylene-
CAS No: 71195-09-0 Catalog No: AG005KCW MDL No:MFCD00056726
Product Description
Catalog Number:
AG005KCW
Chemical Name:
DL-Aspartic acid, 3-methylene-
CAS Number:
71195-09-0
Molecular Formula:
C5H7NO4
Molecular Weight:
145.1134
MDL Number:
MFCD00056726
IUPAC Name:
2-amino-3-methylidenebutanedioic acid
InChI:
InChI=1S/C5H7NO4/c1-2(4(7)8)3(6)5(9)10/h3H,1,6H2,(H,7,8)(H,9,10)
InChI Key:
UAMWJYRYDNTFAQ-UHFFFAOYSA-N
SMILES:
OC(=O)C(=C)C(C(=O)O)N
NSC Number:
344824
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
145.038g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
145.114g/mol
Monoisotopic Mass:
145.038g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.2
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