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121786-40-1 | 4-Pentenoic acid, 2-(acetylamino)-, (2R)-
CAS No: 121786-40-1 Catalog No: AG00161F MDL No:MFCD12031687
Product Description
Catalog Number:
AG00161F
Chemical Name:
4-Pentenoic acid, 2-(acetylamino)-, (2R)-
CAS Number:
121786-40-1
Molecular Formula:
C7H11NO3
Molecular Weight:
157.1671
MDL Number:
MFCD12031687
IUPAC Name:
(2R)-2-acetamidopent-4-enoic acid
InChI:
InChI=1S/C7H11NO3/c1-3-4-6(7(10)11)8-5(2)9/h3,6H,1,4H2,2H3,(H,8,9)(H,10,11)/t6-/m1/s1
InChI Key:
QTNLDKHXFVSKCF-ZCFIWIBFSA-N
SMILES:
CC(=O)N[C@@H](C(=O)O)CC=C
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
157.074g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
157.169g/mol
Monoisotopic Mass:
157.074g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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