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81499-33-4 | phenol, 4-(1-methylethyl)-, methylcarbamate
CAS No: 81499-33-4 Catalog No: AG005K9O MDL No:
Product Description
Catalog Number:
AG005K9O
Chemical Name:
phenol, 4-(1-methylethyl)-, methylcarbamate
CAS Number:
81499-33-4
Molecular Formula:
C11H17NO3
Molecular Weight:
211.2576
IUPAC Name:
3-phenylmethoxyaniline;hydrochloride
InChI:
InChI=1S/C13H13NO.ClH/c14-12-7-4-8-13(9-12)15-10-11-5-2-1-3-6-11;/h1-9H,10,14H2;1H
InChI Key:
DGEPFWPWDZVYEP-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)O)C.CNC(=O)O
UNII:
55TL0Z0P5H
NSC Number:
81587
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.076g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
235.711g/mol
Monoisotopic Mass:
235.076g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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