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102233-70-5 | 2-Butenoic acid, 3-(3-buten-1-ylamino)-, methyl ester
CAS No: 102233-70-5 Catalog No: AG0006Z8 MDL No:
Product Description
Catalog Number:
AG0006Z8
Chemical Name:
2-Butenoic acid, 3-(3-buten-1-ylamino)-, methyl ester
CAS Number:
102233-70-5
Molecular Formula:
C9H15NO2
Molecular Weight:
169.2209
IUPAC Name:
methyl 3-(but-3-enylamino)but-2-enoate
InChI:
InChI=1S/C9H15NO2/c1-4-5-6-10-8(2)7-9(11)12-3/h4,7,10H,1,5-6H2,2-3H3
InChI Key:
WOVVBWFNJHVIJU-UHFFFAOYSA-N
SMILES:
CC(=CC(=O)OC)NCCC=C
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.11g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
169.224g/mol
Monoisotopic Mass:
169.11g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.4
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