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88715-95-1 | Benzene, 1-ethoxy-4-isocyanato-2-(methoxymethyl)-
CAS No: 88715-95-1 Catalog No: AG0046YX MDL No:
Product Description
Catalog Number:
AG0046YX
Chemical Name:
Benzene, 1-ethoxy-4-isocyanato-2-(methoxymethyl)-
CAS Number:
88715-95-1
Molecular Formula:
C11H13NO3
Molecular Weight:
207.2258
IUPAC Name:
1-ethoxy-4-isocyanato-2-(methoxymethyl)benzene
InChI:
InChI=1S/C11H13NO3/c1-3-15-11-5-4-10(12-8-13)6-9(11)7-14-2/h4-6H,3,7H2,1-2H3
InChI Key:
YGEKHUZHTXSKRW-UHFFFAOYSA-N
SMILES:
COCc1cc(N=C=O)ccc1OCC
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.09g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.229g/mol
Monoisotopic Mass:
207.09g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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