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113485-32-8 | Carbamic acid, hydroxymethyl-, [1,1'-biphenyl]-4-ylmethyl ester (9CI)
CAS No: 113485-32-8 Catalog No: AG0008Q4 MDL No:
Product Description
Catalog Number:
AG0008Q4
Chemical Name:
Carbamic acid, hydroxymethyl-, [1,1'-biphenyl]-4-ylmethyl ester (9CI)
CAS Number:
113485-32-8
Molecular Formula:
C15H15NO3
Molecular Weight:
257.2845
IUPAC Name:
(4-phenylphenyl)methyl N-(hydroxymethyl)carbamate
InChI:
InChI=1S/C15H15NO3/c17-11-16-15(18)19-10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9,17H,10-11H2,(H,16,18)
InChI Key:
YWAQLTSLNLMFKH-UHFFFAOYSA-N
SMILES:
OCNC(=O)OCc1ccc(cc1)c1ccccc1
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.105g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
257.289g/mol
Monoisotopic Mass:
257.105g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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