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88310-27-4 | Carbamic acid, 1-butenyl-, 3-methoxyphenyl ester
CAS No: 88310-27-4 Catalog No: AG004907 MDL No:
Product Description
Catalog Number:
AG004907
Chemical Name:
Carbamic acid, 1-butenyl-, 3-methoxyphenyl ester
CAS Number:
88310-27-4
Molecular Formula:
C12H15NO3
Molecular Weight:
221.2524
IUPAC Name:
(3-methoxyphenyl) N-but-1-enylcarbamate
InChI:
InChI=1S/C12H15NO3/c1-3-4-8-13-12(14)16-11-7-5-6-10(9-11)15-2/h4-9H,3H2,1-2H3,(H,13,14)
InChI Key:
GUBBNBAUHRDFLY-UHFFFAOYSA-N
SMILES:
CCC=CNC(=O)Oc1cccc(c1)OC
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.105g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.256g/mol
Monoisotopic Mass:
221.105g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.5
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