Hept-5-ynoic acid

CAT: 0127-OR1022150Size: 1 EachDry Ice: NoHazardous: No

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CAT#:0127-OR1022150Size:1 Each

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CAS Number

255381-83-0

Purity

=95%

Smiles

CC#CCCCC(=O)O

Chemical Information

Hept-5-ynoic acid

CAS Number	255381-83-0
PubChem CID	10909576
IUPAC Name	hept-5-ynoic acid
Molecular Formula	C7H10O2
Molecular Weight	126.15
XLogP	1.2
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	9
Formal Charge	0
Complexity	147

SMILES

CC#CCCCC(=O)O

InChI

InChI=1S/C7H10O2/c1-2-3-4-5-6-7(8)9/h4-6H2,1H3,(H,8,9)

InChIKey

MHGHBWVIEFLKBM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 255381-83-0

CID: 10909576

Formula: C7H10O2

MW: 126.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	126.15
XLogP3	1.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	126.068079557
Monoisotopic Mass	126.068079557
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	147
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR52044-01	Hept-6-ynoic acid
OR74995-01	Hept-6-ynoic acid
OR30593-01	Hex-5-ynoic acid
OR92569	5-Hydroxypent-2-ynoic acid
OR97747	Hex-5-ynoic acid amide
OR1024089-01	(R) -3-Aminohex-5-Ynoic Acid Hydrochloride
OR22085-01	Oct-2-ynoic acid
OR1046304-01	(S) -3-Aminohex-5-ynoic acid hydrochloride
OR1007246-01	Dodec-11-ynoic acid
OR52344-01	Undec-10-ynoic acid

Catalog	Name
FKA38183-01	Hept-5-ynoic acid
CSB-DT1969	Fmoc- (R) -2-amino-hept-6- ynoic acid
CSB-DT1967	Fmoc- (S) -2-amino-hept-6- ynoic acid
MBS9022461-01	Fmoc-(R)-2-amino-hept-6-ynoic acid
MBS9022459-01	Fmoc-(S)-2-amino-hept-6-ynoic acid
GTR19271922-01	Tetradec-5-ynoic acid
XTB19205-01	Fmoc- (S) -2-amino-hept-6-ynoic acid ee
HY-172218	Lenalidomide-hex-5-ynoic acid
HY-163011	Dicamba-hex-5-ynoic acid
TRC-A313491-2.5G	2-Acetamidohex-5-ynoic Acid