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88310-11-6 | Carbamic acid, 1-propenyl-, 3-(1,1-dimethylethyl)phenyl ester
CAS No: 88310-11-6 Catalog No: AG0048O0 MDL No:
Product Description
Catalog Number:
AG0048O0
Chemical Name:
Carbamic acid, 1-propenyl-, 3-(1,1-dimethylethyl)phenyl ester
CAS Number:
88310-11-6
Molecular Formula:
C14H19NO2
Molecular Weight:
233.3062
IUPAC Name:
(3-tert-butylphenyl) N-prop-1-enylcarbamate
InChI:
InChI=1S/C14H19NO2/c1-5-9-15-13(16)17-12-8-6-7-11(10-12)14(2,3)4/h5-10H,1-4H3,(H,15,16)
InChI Key:
AZFZDIZNJXIKHN-UHFFFAOYSA-N
SMILES:
CC=CNC(=O)Oc1cccc(c1)C(C)(C)C
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.142g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.311g/mol
Monoisotopic Mass:
233.142g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.7
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