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163554-55-0 | Carbamic acid, N-(1-formylcyclobutyl)-, 1,1-dimethylethyl ester
CAS No: 163554-55-0 Catalog No: AG001U7S MDL No:MFCD21604087
Product Description
Catalog Number:
AG001U7S
Chemical Name:
Carbamic acid, N-(1-formylcyclobutyl)-, 1,1-dimethylethyl ester
CAS Number:
163554-55-0
Molecular Formula:
C10H17NO3
Molecular Weight:
199.2469
MDL Number:
MFCD21604087
IUPAC Name:
tert-butyl N-(1-formylcyclobutyl)carbamate
InChI:
InChI=1S/C10H17NO3/c1-9(2,3)14-8(13)11-10(7-12)5-4-6-10/h7H,4-6H2,1-3H3,(H,11,13)
InChI Key:
HZFZXPAIALRURU-UHFFFAOYSA-N
SMILES:
O=CC1(CCC1)NC(=O)OC(C)(C)C
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.121g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
199.25g/mol
Monoisotopic Mass:
199.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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