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19189-01-6 | 1,3-Benzenediol, 1-(N-methylcarbamate)
CAS No: 19189-01-6 Catalog No: AG002FIU MDL No:MFCD01738588
Product Description
Catalog Number:
AG002FIU
Chemical Name:
1,3-Benzenediol, 1-(N-methylcarbamate)
CAS Number:
19189-01-6
Molecular Formula:
C8H9NO3
Molecular Weight:
167.1620
MDL Number:
MFCD01738588
IUPAC Name:
(3-hydroxyphenyl) N-methylcarbamate
InChI:
InChI=1S/C8H9NO3/c1-9-8(11)12-7-4-2-3-6(10)5-7/h2-5,10H,1H3,(H,9,11)
InChI Key:
CZNVCWZCRNGTOQ-UHFFFAOYSA-N
SMILES:
CNC(=O)Oc1cccc(c1)O
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.058g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
167.164g/mol
Monoisotopic Mass:
167.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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