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19201-38-8 | 2-Propenoic acid, 3-(3-isocyanatophenyl)-, ethyl ester
CAS No: 19201-38-8 Catalog No: AG002FKZ MDL No:
Product Description
Catalog Number:
AG002FKZ
Chemical Name:
2-Propenoic acid, 3-(3-isocyanatophenyl)-, ethyl ester
CAS Number:
19201-38-8
Molecular Formula:
C12H11NO3
Molecular Weight:
217.2206
IUPAC Name:
ethyl 3-(3-isocyanatophenyl)prop-2-enoate
InChI:
InChI=1S/C12H11NO3/c1-2-16-12(15)7-6-10-4-3-5-11(8-10)13-9-14/h3-8H,2H2,1H3
InChI Key:
VUFWMWBNRFMIHW-UHFFFAOYSA-N
SMILES:
CCOC(=O)C=Cc1cccc(c1)N=C=O
EC Number:
242-875-3
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.074g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.224g/mol
Monoisotopic Mass:
217.074g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.4
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