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848133-09-5 | 2-Butenoic acid,4-(1-pyrrolidinyl)-, hydrochloride (1:1), (2E)-
CAS No: 848133-09-5 Catalog No: AG004X3M MDL No:MFCD29045485
Product Description
Catalog Number:
AG004X3M
Chemical Name:
2-Butenoic acid,4-(1-pyrrolidinyl)-, hydrochloride (1:1), (2E)-
CAS Number:
848133-09-5
Molecular Formula:
C8H13NO2
Molecular Weight:
155.1943
MDL Number:
MFCD29045485
IUPAC Name:
4-pyrrolidin-1-ylbut-2-enoic acid
InChI:
InChI=1S/C8H13NO2/c10-8(11)4-3-7-9-5-1-2-6-9/h3-4H,1-2,5-7H2,(H,10,11)
InChI Key:
IVFIUBOAHQZQQJ-UHFFFAOYSA-N
SMILES:
OC(=O)/C=C/CN1CCCC1
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.095g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
155.197g/mol
Monoisotopic Mass:
155.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
-1.7
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