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116273-92-8 | 2-Butenoic acid, 4,4-dimethoxy-3-(1-pyrrolidinyl)-, methyl ester, (E)- (9CI)
CAS No: 116273-92-8 Catalog No: AG000C3C MDL No:
Product Description
Catalog Number:
AG000C3C
Chemical Name:
2-Butenoic acid, 4,4-dimethoxy-3-(1-pyrrolidinyl)-, methyl ester, (E)- (9CI)
CAS Number:
116273-92-8
Molecular Formula:
C11H19NO4
Molecular Weight:
229.2729
IUPAC Name:
methyl 4,4-dimethoxy-3-pyrrolidin-1-ylbut-2-enoate
InChI:
InChI=1S/C11H19NO4/c1-14-10(13)8-9(11(15-2)16-3)12-6-4-5-7-12/h8,11H,4-7H2,1-3H3
InChI Key:
ZIDNMKMGRVRDSN-UHFFFAOYSA-N
SMILES:
COC(=O)/C=C(\C(OC)OC)/N1CCCC1
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.131g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.276g/mol
Monoisotopic Mass:
229.131g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
48A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.6
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