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167216-30-0 | Carbamic acid, N-(3-hydroxybutyl)-, 1,1-dimethylethyl ester
CAS No: 167216-30-0 Catalog No: AG001X75 MDL No:MFCD04974277
Product Description
Catalog Number:
AG001X75
Chemical Name:
Carbamic acid, N-(3-hydroxybutyl)-, 1,1-dimethylethyl ester
CAS Number:
167216-30-0
Molecular Formula:
C9H19NO3
Molecular Weight:
189.2521
MDL Number:
MFCD04974277
IUPAC Name:
tert-butyl N-(3-hydroxybutyl)carbamate
InChI:
InChI=1S/C9H19NO3/c1-7(11)5-6-10-8(12)13-9(2,3)4/h7,11H,5-6H2,1-4H3,(H,10,12)
InChI Key:
IDXKPWMYURAXTA-UHFFFAOYSA-N
SMILES:
CC(CCNC(=O)OC(C)(C)C)O
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.136g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
189.255g/mol
Monoisotopic Mass:
189.136g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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