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14205-46-0 | 2-Butenoic acid, 3-amino-, 1-methylethyl ester
CAS No: 14205-46-0 Catalog No: AG001HNI MDL No:MFCD00134272
Product Description
Catalog Number:
AG001HNI
Chemical Name:
2-Butenoic acid, 3-amino-, 1-methylethyl ester
CAS Number:
14205-46-0
Molecular Formula:
C7H13NO2
Molecular Weight:
143.1836
MDL Number:
MFCD00134272
IUPAC Name:
propan-2-yl (Z)-3-aminobut-2-enoate
InChI:
InChI=1S/C7H13NO2/c1-5(2)10-7(9)4-6(3)8/h4-5H,8H2,1-3H3/b6-4-
InChI Key:
YCKAGGHNUHZKCL-XQRVVYSFSA-N
SMILES:
CC(OC(=O)C=C(N)C)C
Properties
Complexity:
150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
143.095g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
143.186g/mol
Monoisotopic Mass:
143.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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