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807334-25-4 | 1,2-Ethanediol, 1-phenyl-, 2-carbamate, (1S)- (9CI)
CAS No: 807334-25-4 Catalog No: AG00392S MDL No:
Product Description
Catalog Number:
AG00392S
Chemical Name:
1,2-Ethanediol, 1-phenyl-, 2-carbamate, (1S)- (9CI)
CAS Number:
807334-25-4
Molecular Formula:
C9H11NO3
Molecular Weight:
181.1885
IUPAC Name:
[(2S)-2-hydroxy-2-phenylethyl] carbamate
InChI:
InChI=1S/C9H11NO3/c10-9(12)13-6-8(11)7-4-2-1-3-5-7/h1-5,8,11H,6H2,(H2,10,12)/t8-/m1/s1
InChI Key:
OCSOHUROTFFTFO-MRVPVSSYSA-N
SMILES:
OC(c1ccccc1)COC(=O)N
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
181.074g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
181.191g/mol
Monoisotopic Mass:
181.074g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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