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877031-91-9 | Carbamic acid, [(3-methoxyphenyl)methylene]-, 1,1-dimethylethyl ester
CAS No: 877031-91-9 Catalog No: AG004NCJ MDL No:
Product Description
Catalog Number:
AG004NCJ
Chemical Name:
Carbamic acid, [(3-methoxyphenyl)methylene]-, 1,1-dimethylethyl ester
CAS Number:
877031-91-9
Molecular Formula:
C13H17NO3
Molecular Weight:
235.2790
IUPAC Name:
tert-butyl N-[(3-methoxyphenyl)methylidene]carbamate
InChI:
InChI=1S/C13H17NO3/c1-13(2,3)17-12(15)14-9-10-6-5-7-11(8-10)16-4/h5-9H,1-4H3
InChI Key:
FNINBPYNKZZGFU-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)C=NC(=O)OC(C)(C)C
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.121g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.283g/mol
Monoisotopic Mass:
235.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.8
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